| CAS Number | 695190-76-2 |
| Catalog Number | AG00FGY1(AGN-PC-0WOIZH) |
| Chemical Name | 4-Chloro-3-(4-chlorophenyl)benzoic acid |
| IUPAC Name | 4-chloro-3-(4-chlorophenyl)benzoic acid |
| InChI | InChI=1S/C13H8Cl2O2/c14-10-4-1-8(2-5-10)11-7-9(13(16)17)3-6-12(11)15/h1-7H,(H,16,17) |
| InChI Key | PMRBQNXFCDBHEY-UHFFFAOYSA-N |
| MDL Number | MFCD11933686 |
| Molecular Formula | C13H8Cl2O2 |
| Molecular Weight | 267.1074 |
| SMILES | Clc1ccc(cc1)c1cc(ccc1Cl)C(=O)O |
| Synonyms | 4-CHLORO-3-(4-CHLOROPHENYL)BENZOIC ACID,
695190-76-2,
CHEMBL284793,
DTXSID20653173,
KM1276,
MFCD11933686,
ZINC29219105,
AKOS022257307,
PDL-141021,
4',6-Dichloro[1,1'-biphenyl]-3-carboxylic acid,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.105g/mol |
| Monoisotopic Mass | 265.99g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number