| CAS Number | 1261855-01-9 |
| Catalog Number | AG000S2M(AGN-PC-0WA6E5) |
| Chemical Name | 2-Chloro-4-(3-trifluoromethoxyphenyl)benzoic acid |
| IUPAC Name | 2-chloro-4-[3-(trifluoromethoxy)phenyl]benzoic acid |
| InChI | InChI=1S/C14H8ClF3O3/c15-12-7-9(4-5-11(12)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H,19,20) |
| InChI Key | YWSSYPOIKAREHE-UHFFFAOYSA-N |
| MDL Number | MFCD18322417 |
| Molecular Formula | C14H8ClF3O3 |
| Molecular Weight | 316.6597 |
| SMILES | OC(=O)c1ccc(cc1Cl)c1cccc(c1)OC(F)(F)F |
| Synonyms | 2-CHLORO-4-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID,
1261855-01-9,
ACMC-209b2l,
CTK8A9649,
DTXSID00691775,
ANW-18619,
MFCD18322417,
ZINC65354790,
TC-107364,
Z9082,
B-6813,
3-Chloro-3'-(trifluoromethoxy)[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 3-chloro-3'-(trifluoromethoxy)-,
C14H8ClF3O3,
2-chloro-4-[3-(trifluoromethoxy)phenyl]benzoic acid,
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| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.66g/mol |
| Monoisotopic Mass | 316.011g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number