| CAS Number | 537713-33-0 |
| Catalog Number | AG00I9LE(AGN-PC-09PUZ2) |
| Chemical Name | 5-Fluoro-2-(4-methylphenyl)benzoic acid |
| IUPAC Name | 5-fluoro-2-(4-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11FO2/c1-9-2-4-10(5-3-9)12-7-6-11(15)8-13(12)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | KLQRZTPYWXTRHO-UHFFFAOYSA-N |
| MDL Number | MFCD12859180 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | Cc1ccc(cc1)c1ccc(cc1C(=O)O)F |
| Synonyms | 537713-33-0,
5-FLUORO-2-(4-METHYLPHENYL)BENZOIC ACID,
4-fluoro-4'-methyl-[1,1'-biphenyl]-2-carboxylic acid,
SCHEMBL594022,
DTXSID40681115,
MFCD12859180,
ZINC38068115,
AKOS005816409,
4-Fluoro-4'-methyl[1,1'-biphenyl]-2-carboxylic acid,
F2167-4485,
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| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.238g/mol |
| Monoisotopic Mass | 230.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number