| CAS Number | 273727-25-6 |
| Catalog Number | AG00I56T(AGN-PC-01XQDG) |
| Chemical Name | 4-Chloro-2-(4-trifluoromethylphenyl)benzoic acid |
| IUPAC Name | 4-chloro-2-[4-(trifluoromethyl)phenyl]benzoic acid |
| InChI | InChI=1S/C14H8ClF3O2/c15-10-5-6-11(13(19)20)12(7-10)8-1-3-9(4-2-8)14(16,17)18/h1-7H,(H,19,20) |
| InChI Key | BNOSVWSVSXMETM-UHFFFAOYSA-N |
| MDL Number | MFCD18321800 |
| Molecular Formula | C14H8ClF3O2 |
| Molecular Weight | 300.6603 |
| SMILES | Clc1ccc(c(c1)c1ccc(cc1)C(F)(F)F)C(=O)O |
| Synonyms | 273727-25-6,
4-CHLORO-2-(4-TRIFLUOROMETHYLPHENYL)BENZOIC ACID,
SCHEMBL3902553,
DTXSID80594977,
BNOSVWSVSXMETM-UHFFFAOYSA-N,
MFCD18321800,
5-Chloro-4'-(trifluoromethyl)biphenyl-2-carboxylic acid,
5-Chloro-4'-trifluoromethyl-biphenyl-2-carboxylic Acid,
5-Chloro-4'-(trifluoromethyl)[1,1'-biphenyl]-2-carboxylic acid,
4-chloro-2-[4-(trifluoromethyl)phenyl]benzoic acid,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.661g/mol |
| Monoisotopic Mass | 300.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number