| CAS Number | 844878-88-2 |
| Catalog Number | AG003L4Q(AGN-PC-0WP1TW) |
| Chemical Name | 4'-Chloro-3'-fluorobiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(4-chloro-3-fluorophenyl)benzoic acid |
| InChI | InChI=1S/C13H8ClFO2/c14-11-5-4-9(7-12(11)15)8-2-1-3-10(6-8)13(16)17/h1-7H,(H,16,17) |
| InChI Key | XUVRJVFOZGVLCJ-UHFFFAOYSA-N |
| MDL Number | MFCD06201433 |
| Molecular Formula | C13H8ClFO2 |
| Molecular Weight | 250.6528 |
| SMILES | OC(=O)c1cccc(c1)c1ccc(c(c1)F)Cl |
| Synonyms | 844878-88-2,
4'-CHLORO-3'-FLUOROBIPHENYL-3-CARBOXYLIC ACID,
4-Chloro-3-fluorobiphenyl-3-carboxylic acid,
AC1MBW6A,
CTK3E7347,
MFCD06201433,
ZINC16947587,
AKOS004118923,
3-(4-chloro-3-fluorophenyl)benzoic acid,
TR-026112,
BB 0223690,
4'-chloro-3'-fluoro[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylicacid, 4'-chloro-3'-fluoro-,
CID2757571,
3-(4-chloro-3-fluoro-phenyl)benzoic Acid,
3-(2-CHLORO-4-FLUOROPHENYL)BENZOIC ACID,
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| Complexity | 285 |
| 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