| CAS Number | 7111-63-9 |
| Catalog Number | AG005O0E(AGN-PC-09MP87) |
| Chemical Name | 4-(2,3-Dichlorophenyl)benzoic acid |
| IUPAC Name | 4-(2,3-dichlorophenyl)benzoic acid |
| InChI | InChI=1S/C13H8Cl2O2/c14-11-3-1-2-10(12(11)15)8-4-6-9(7-5-8)13(16)17/h1-7H,(H,16,17) |
| InChI Key | STLGUJTWUAPIIL-UHFFFAOYSA-N |
| MDL Number | MFCD11932368 |
| Molecular Formula | C13H8Cl2O2 |
| Molecular Weight | 267.1074 |
| SMILES | OC(=O)c1ccc(cc1)c1cccc(c1Cl)Cl |
| Synonyms | 4-(2,3-DICHLOROPHENYL)BENZOIC ACID,
7111-63-9,
SCHEMBL2890186,
CTK5D3536,
DTXSID50680735,
KM1387,
MFCD11932368,
ZINC33428124,
AKOS005816601,
2',3'-Dichloro[1,1'-biphenyl]-4-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 | 4.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number