Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
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Product
Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
CAS
1314936-23-6
Formula
C9H8FNO3
Product Description
Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester is a chemical compound with the formula C9H8FNO3. It is a methyl ester derivative of benzoic acid, featuring a fluoro and formylamino group, making it a valuable intermediate in organic synthesis.
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Typical Product Specifications
Chemical Structure
Chemical Structure
Canonicalized Compound
1
Compound Complexity
222
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Rotatable Bond Count
3
Allowed IUPAC Name
methyl 3-fluoro-4-formamido-benzoate
CAS-like Style IUPAC Name
3-fluoro-4-formamidobenzoic acid methyl ester
Markup IUPAC Name
methyl 3-fluoro-4-formamidobenzoate
Preferred IUPAC Name
methyl 3-fluoro-4-formamidobenzoate
Systematic IUPAC Name
methyl 3-fluoranyl-4-formamido-benzoate
Traditional IUPAC Name
3-fluoro-4-formamido-benzoic acid methyl ester
Standard InChI
InChI=1S/C9H8FNO3/c1-14-9(13)6-2-3-8(11-5-12)7(10)4-6/h2-5H,1H3,(H,11,12)
Standard InChIKey
HECHHBNGQFHWHW-UHFFFAOYSA-N
XLogP3-AA Log P
1.1
Exact Mass
197.04882128
Molecular Weight
197.16
Canonical SMILES
COC(=O)C1=CC(=C(C=C1)NC=O)F
Isomeric SMILES
COC(=O)C1=CC(=C(C=C1)NC=O)F
Polar Surface Area Topological
55.4
MonoIsotopic Weight
197.04882128
Class
Uses of Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
This compound is primarily used in the pharmaceutical industry as an active pharmaceutical ingredient (API), as an intermediate in the synthesis of various bioactive molecules. Its unique structure allows it to participate in chemical reactions that lead to the development of new drugs and therapeutic agents.
Industries that use Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
- Pharmaceutical - In the pharmaceutical industry, this compound is utilized in the synthesis of drugs, particularly those targeting specific biological pathways due to its functional groups.
- Chemical Manufacturing - Chemical manufacturers use this compound as an intermediate in the production of various chemicals, enhancing the efficiency of synthetic processes.
- Research and Development - In R&D settings, this compound is studied for its potential applications in drug discovery and development, contributing to the advancement of medicinal chemistry.
Related Products
- Complementary Products
- Alternative Products
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Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
Product
Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
CAS
1314936-23-6
Formula
C9H8FNO3
Product Description
Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester is a chemical compound with the formula C9H8FNO3. It is a methyl ester derivative of benzoic acid, featuring a fluoro and formylamino group, making it a valuable intermediate in organic synthesis.
Need a quote for Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester?
Please fill out the RFQ form, and one of our representatives will contact you as soon as possible.
Typical Product Specifications
Chemical Structure
Chemical Structure
Canonicalized Compound
1
Compound Complexity
222
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
1
Rotatable Bond Count
3
Allowed IUPAC Name
methyl 3-fluoro-4-formamido-benzoate
CAS-like Style IUPAC Name
3-fluoro-4-formamidobenzoic acid methyl ester
Markup IUPAC Name
methyl 3-fluoro-4-formamidobenzoate
Preferred IUPAC Name
methyl 3-fluoro-4-formamidobenzoate
Systematic IUPAC Name
methyl 3-fluoranyl-4-formamido-benzoate
Traditional IUPAC Name
3-fluoro-4-formamido-benzoic acid methyl ester
Standard InChI
InChI=1S/C9H8FNO3/c1-14-9(13)6-2-3-8(11-5-12)7(10)4-6/h2-5H,1H3,(H,11,12)
Standard InChIKey
HECHHBNGQFHWHW-UHFFFAOYSA-N
XLogP3-AA Log P
1.1
Exact Mass
197.04882128
Molecular Weight
197.16
Canonical SMILES
COC(=O)C1=CC(=C(C=C1)NC=O)F
Isomeric SMILES
COC(=O)C1=CC(=C(C=C1)NC=O)F
Polar Surface Area Topological
55.4
MonoIsotopic Weight
197.04882128
Class
Uses of Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
This compound is primarily used in the pharmaceutical industry as an active pharmaceutical ingredient (API), as an intermediate in the synthesis of various bioactive molecules. Its unique structure allows it to participate in chemical reactions that lead to the development of new drugs and therapeutic agents.
Industries that use Benzoic acid, 3-fluoro-4-(formylamino)-, methyl ester
- Pharmaceutical - In the pharmaceutical industry, this compound is utilized in the synthesis of drugs, particularly those targeting specific biological pathways due to its functional groups.
- Chemical Manufacturing - Chemical manufacturers use this compound as an intermediate in the production of various chemicals, enhancing the efficiency of synthetic processes.
- Research and Development - In R&D settings, this compound is studied for its potential applications in drug discovery and development, contributing to the advancement of medicinal chemistry.
Related Products
- Complementary Products
- Alternative Products
Contact Us
