2-Methyl-3-chloroanisole
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Product Description
Product
2-Methyl-3-chloroanisole
CAS
3260-88-6
Formula
C8H9ClO
Typical Product Specifications
Molecular weight
156.61
SMILES
c1(c(Cl)cccc1OC)C
InChI
LTVRGAWOEOKGJZ-UHFFFAOYSA-N
InChIKey
1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
Molecular weight
182.22
SMILES
c1cccc(OC[C@@H](CO)O)c1C
InChI
1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
InChIKey
JWDYCNIAQWPBHD-UHFFFAOYSA-N
Water solubility
1.18E+04 mg/L
Melting Point
70 dec ° C
Atmospheric OH Rate Constant
4.81E-11 cm3/molecule-sec
log P (octanol-water)
1.41
Vapor Pressure
5.43E-06 mm Hg
Henry's Law Constant
8.29E-10 atm-m3/mole
Class
2-Methyl-3-chloroanisole
Product Description
Product
2-Methyl-3-chloroanisole
CAS
3260-88-6
Formula
C8H9ClO
Typical Product Specifications
Molecular weight
156.61
SMILES
c1(c(Cl)cccc1OC)C
InChI
LTVRGAWOEOKGJZ-UHFFFAOYSA-N
InChIKey
1S/C8H9ClO/c1-6-7(9)4-3-5-8(6)10-2/h3-5H,1-2H3
Molecular weight
182.22
SMILES
c1cccc(OC[C@@H](CO)O)c1C
InChI
1S/C10H14O3/c1-8-4-2-3-5-10(8)13-7-9(12)6-11/h2-5,9,11-12H,6-7H2,1H3
InChIKey
JWDYCNIAQWPBHD-UHFFFAOYSA-N
Water solubility
1.18E+04 mg/L
Melting Point
70 dec ° C
Atmospheric OH Rate Constant
4.81E-11 cm3/molecule-sec
log P (octanol-water)
1.41
Vapor Pressure
5.43E-06 mm Hg
Henry's Law Constant
8.29E-10 atm-m3/mole
Class
