2-Fluoro-4-phenylbenzoic acid - CAS 505082-76-8
Catalog: |
BB064996 |
Product Name: |
2-Fluoro-4-phenylbenzoic acid |
CAS: |
505082-76-8 |
Synonyms: |
2-FLUORO-4-PHENYLBENZOIC ACID; 3-Fluoro-[1,1'-biphenyl]-4-carboxylic acid; 3-fluoro-1,1'-biphenyl-4-carboxylic acid; 3-fluorobiphenyl-4-carboxylic acid; 2-Fluoro-4-biphenylcarboxylic acid |
IUPAC Name: | 2-fluoro-4-phenylbenzoic acid |
Description: | 2-Fluoro-4-phenylbenzoic acid |
Molecular Weight: | 216.21 |
Molecular Formula: | C13H9FO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=C(C=C2)C(=O)O)F |
InChI: | InChI=1S/C13H9FO2/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H,15,16) |
InChI Key: | OCBXYYOULFLHEZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.05865769 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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