5-Fluoro-3-phenylbenzoic acid - CAS 1082565-35-2
Catalog: |
BB064998 |
Product Name: |
5-Fluoro-3-phenylbenzoic acid |
CAS: |
1082565-35-2 |
Synonyms: |
5-FLUORO-3-PHENYLBENZOIC ACID; 5-Fluoro-[1,1'-biphenyl]-3-carboxylic acid; 3-fluoro-5-phenylbenzoic acid; 5-Fluoro-[1,1'-biphenyl]-3-carboxylicacid; 5-Fluorobiphenyl-3-carboxylic acid |
IUPAC Name: | 3-fluoro-5-phenylbenzoic acid |
Description: | 5-Fluoro-3-phenylbenzoic acid |
Molecular Weight: | 216.21 |
Molecular Formula: | C13H9FO2 |
Canonical SMILES: | C1=CC=C(C=C1)C2=CC(=CC(=C2)F)C(=O)O |
InChI: | InChI=1S/C13H9FO2/c14-12-7-10(6-11(8-12)13(15)16)9-4-2-1-3-5-9/h1-8H,(H,15,16) |
InChI Key: | CMQRNIJBMDZLEU-UHFFFAOYSA-N |
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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