4-(2,6-Difluorophenyl)benzoic acid - CAS 505082-79-1
Catalog: |
BB067597 |
Product Name: |
4-(2,6-Difluorophenyl)benzoic acid |
CAS: |
505082-79-1 |
Synonyms: |
4-(2,6-difluorophenyl)benzoic acid; 2',6'-Difluoro-[1,1'-biphenyl]-4-carboxylic acid; 2',6'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID; 2f7i |
IUPAC Name: | 4-(2,6-difluorophenyl)benzoic acid |
Description: | 4-(2,6-Difluorophenyl)benzoic acid |
Molecular Weight: | 234.2 |
Molecular Formula: | C13H8F2O2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)C2=CC=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C13H8F2O2/c14-10-2-1-3-11(15)12(10)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17) |
InChI Key: | CWWIIKLXUPZDOG-UHFFFAOYSA-N |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.04923582 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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