| CAS Number | 1261964-51-5 |
| Catalog Number | AG00HOJ2 |
| Chemical Name | 4-(3,5-Difluorophenyl)-3-methylbenzoic acid |
| IUPAC Name | 4-(3,5-difluorophenyl)-3-methylbenzoic acid |
| InChI | InChI=1S/C14H10F2O2/c1-8-4-9(14(17)18)2-3-13(8)10-5-11(15)7-12(16)6-10/h2-7H,1H3,(H,17,18) |
| InChI Key | KUOWROUZXJHRQV-UHFFFAOYSA-N |
| MDL Number | MFCD18319981 |
| Molecular Formula | C14H10F2O2 |
| Molecular Weight | 248.2248 |
| SMILES | Fc1cc(F)cc(c1)c1ccc(cc1C)C(=O)O |
| Synonyms | 1261964-51-5,
4-(3,5-DIFLUOROPHENYL)-3-METHYLBENZOIC ACID,
3',5'-Difluoro-2-methyl-[1,1'-biphenyl]-4-carboxylic acid,
DTXSID50689627,
MFCD18319981,
3',5'-Difluoro-2-methyl[1,1'-biphenyl]-4-carboxylic acid,
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| Complexity | 298 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.229g/mol |
| Monoisotopic Mass | 248.065g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
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