5-(2-Fluorophenyl)-2-fluorobenzoic acid - CAS 1214386-81-8
Catalog: |
BB064719 |
Product Name: |
5-(2-Fluorophenyl)-2-fluorobenzoic acid |
CAS: |
1214386-81-8 |
Synonyms: |
5-(2-FLUOROPHENYL)-2-FLUOROBENZOIC ACID; 2',4-Difluoro-[1,1'-biphenyl]-3-carboxylic acid; 2-fluoro-5-(2-fluorophenyl)benzoic acid; 2',4-Difluoro-[1,1'-biphenyl]-3-carboxylicacid |
IUPAC Name: | 2-fluoro-5-(2-fluorophenyl)benzoic acid |
Molecular Weight: | 234.2 |
Molecular Formula: | C13H8F2O2 |
Canonical SMILES: | C1=CC=C(C(=C1)C2=CC(=C(C=C2)F)C(=O)O)F |
InChI: | InChI=1S/C13H8F2O2/c14-11-4-2-1-3-9(11)8-5-6-12(15)10(7-8)13(16)17/h1-7H,(H,16,17) |
InChI Key: | YHAAEKUKRQEETK-UHFFFAOYSA-N |
Complexity: | 283 |
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: | 4.2 |
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