| CAS Number | 1214344-28-1 |
| Catalog Number | AG009X09(AGN-PC-0WABB3) |
| Chemical Name | 5-Chloro-3-(4-fluorophenyl)benzoic acid |
| IUPAC Name | 3-chloro-5-(4-fluorophenyl)benzoic acid |
| InChI | InChI=1S/C13H8ClFO2/c14-11-6-9(5-10(7-11)13(16)17)8-1-3-12(15)4-2-8/h1-7H,(H,16,17) |
| InChI Key | WQBPPCXSAODAEI-UHFFFAOYSA-N |
| MDL Number | MFCD14701412 |
| Molecular Formula | C13H8ClFO2 |
| Molecular Weight | 250.6528 |
| SMILES | Clc1cc(cc(c1)C(=O)O)c1ccc(cc1)F |
| Synonyms | 1214344-28-1,
5-CHLORO-3-(4-FLUOROPHENYL)BENZOIC ACID,
DTXSID10673466,
MFCD14701412,
ZINC47207042,
3-Chloro-4'-fluorobiphenyl-5-carboxylic acid,
K-1547,
5-Chloro-4'-fluoro[1,1'-biphenyl]-3-carboxylic acid,
3-chloro-5-(4-fluorophenyl)benzoic acid,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.653g/mol |
| Monoisotopic Mass | 250.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number