| Molecular Formula | C13H16BFO4 |
| Canonicalized Compound | 1 |
| Compound Complexity | 356 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Allowed IUPAC Name | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| CAS-like Style IUPAC Name | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| Hydrogen Bond Donor Count | 1 |
| Preferred IUPAC Name | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| Systematic IUPAC Name | 2-fluoranyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| Traditional IUPAC Name | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| Standard InChI | InChI=1S/C13H16BFO4/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H,16,17) |
| Standard InChIKey | BZWWFDHWZHGLFH-UHFFFAOYSA-N |
| Exact Mass | 266.1125673 |
| Molecular Weight | 266.07 |
| Canonical SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)O)F |
| Markup IUPAC Name | 2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid |
| Isomeric SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)C(=O)O)F |
| Polar Surface Area Topological | 55.8 |
| MonoIsotopic Weight | 266.1125673 |
| Chemical Structure |  |
| Class | Specialty Materials |
