| CAS Number | 479079-38-4 |
| Catalog Number | AG00DI0J(AGN-PC-03HZDN) |
| Chemical Name | 4'-Fluoro-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid |
| IUPAC Name | 4-(4-fluoro-2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11FO2/c1-9-8-12(15)6-7-13(9)10-2-4-11(5-3-10)14(16)17/h2-8H,1H3,(H,16,17) |
| InChI Key | OFOKUKWYWDEYOG-UHFFFAOYSA-N |
| MDL Number | MFCD12859237 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | CC1=C(C=CC(F)=C1)C1=CC=C(C=C1)C(O)=O |
| Synonyms | 479079-38-4,
4-(4-FLUORO-2-METHYLPHENYL)BENZOIC ACID,
4'-Fluoro-2'-methyl-[1,1'-biphenyl]-4-carboxylic acid,
ACMC-1AMP7,
SCHEMBL3743867,
CTK4J0448,
DTXSID70620375,
ANW-30582,
MFCD12859237,
ZINC38068187,
AKOS005820745,
AJ-94496,
AX8240276,
BC4251890,
TC-119327,
V6122,
I01-11703,
4'-fluoro-2'-methyl[1,1'-biphenyl]-4-carboxylic acid,
C14H11FO2,
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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