| CAS Number | 1008773-97-4 |
| Catalog Number | AG000332(AGN-PC-09O19Q) |
| Chemical Name | 3-Methyl-4-(3-trifluoromethylphenyl)benzoic acid |
| IUPAC Name | 3-methyl-4-[3-(trifluoromethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C15H11F3O2/c1-9-7-11(14(19)20)5-6-13(9)10-3-2-4-12(8-10)15(16,17)18/h2-8H,1H3,(H,19,20) |
| InChI Key | LCVZKPOQZIJLSS-UHFFFAOYSA-N |
| MDL Number | MFCD18321753 |
| Molecular Formula | C15H11F3O2 |
| Molecular Weight | 280.2418 |
| SMILES | OC(=O)c1ccc(c(c1)C)c1cccc(c1)C(F)(F)F |
| Synonyms | 1008773-97-4,
3-METHYL-4-(3-TRIFLUOROMETHYLPHENYL)BENZOIC ACID,
2-Methyl-3'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxylic acid,
SCHEMBL179120,
ACMC-2097t0,
CTK8A8988,
DTXSID40691138,
ANW-14386,
MFCD18321753,
ZINC65354215,
AJ-115511,
TC-103131,
Z6324,
B-6237,
2-Methyl-3'-(trifluoromethyl)biphenyl-4-carboxylic acid,
2-Methyl-3'-(trifluoromethyl)[1,1'-biphenyl]-4-carboxylic acid,
C15H11F3O2,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.246g/mol |
| Monoisotopic Mass | 280.071g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number