| CAS Number | 1261952-70-8 |
| Catalog Number | AG009WTT(AGN-PC-0WNPOE) |
| Chemical Name | 4-Fluoro-3-(2-methylphenyl)benzoic acid |
| IUPAC Name | 4-fluoro-3-(2-methylphenyl)benzoic acid |
| InChI | InChI=1S/C14H11FO2/c1-9-4-2-3-5-11(9)12-8-10(14(16)17)6-7-13(12)15/h2-8H,1H3,(H,16,17) |
| InChI Key | ZPSLCBZMJRSBTE-UHFFFAOYSA-N |
| MDL Number | MFCD18318913 |
| Molecular Formula | C14H11FO2 |
| Molecular Weight | 230.2343 |
| SMILES | OC(=O)c1ccc(c(c1)c1ccccc1C)F |
| Synonyms | 4-FLUORO-3-(2-METHYLPHENYL)BENZOIC ACID,
1261952-70-8,
DTXSID00680846,
MFCD18318913,
ZINC49821585,
Z9196,
6-Fluoro-2'-methyl[1,1'-biphenyl]-3-carboxylic acid,
C14H11FO2,
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| Complexity | 279 |
| 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 |
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Certificate of Analysis
Lot Number