| CAS Number | 860597-16-6 |
| Catalog Number | AG004PEX(AGN-PC-0WBKHK) |
| Chemical Name | 4-Chloro-3-phenylbenzoic acid |
| IUPAC Name | 4-chloro-3-phenylbenzoic acid |
| InChI | InChI=1S/C13H9ClO2/c14-12-7-6-10(13(15)16)8-11(12)9-4-2-1-3-5-9/h1-8H,(H,15,16) |
| InChI Key | YVUUMTVLLLZDAL-UHFFFAOYSA-N |
| MDL Number | MFCD11577107 |
| Molecular Formula | C13H9ClO2 |
| Molecular Weight | 232.6624 |
| SMILES | OC(=O)C1=CC=C(Cl)C(=C1)C1=CC=CC=C1 |
| Synonyms | 4-CHLORO-3-PHENYLBENZOIC ACID,
860597-16-6,
ACMC-209q8e,
SCHEMBL3200062,
CTK8B2474,
DTXSID70651806,
2-Chlorobiphenyl-5-carboxylic acid,
ANW-38268,
MFCD11577107,
ZINC20397749,
AKOS015948153,
MCULE-3826449987,
NS-03060,
TC-127013,
6-Chloro[1,1'-biphenyl]-3-carboxylic acid,
6-CHLORO-[1,1'-BIPHENYL]-3-CARBOXYLIC ACID,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.663g/mol |
| Monoisotopic Mass | 232.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number