| CAS Number | 380228-58-0 |
| Catalog Number | AG003FR9(AGN-PC-035QT7) |
| Chemical Name | 2',4'-Dichlorobiphenyl-3-carboxylic acid |
| IUPAC Name | 3-(2,4-dichlorophenyl)benzoic acid |
| InChI | InChI=1S/C13H8Cl2O2/c14-10-4-5-11(12(15)7-10)8-2-1-3-9(6-8)13(16)17/h1-7H,(H,16,17) |
| InChI Key | WUBAPTMRZKVPLO-UHFFFAOYSA-N |
| MDL Number | MFCD11574827 |
| Molecular Formula | C13H8Cl2O2 |
| Molecular Weight | 267.1074 |
| SMILES | O=C(C1=CC(C2=CC=C(Cl)C=C2Cl)=CC=C1)O |
| Synonyms | 2',4'-DICHLOROBIPHENYL-3-CARBOXYLIC ACID,
380228-58-0,
SCHEMBL442436,
CHEMBL192999,
CTK1C1373,
DTXSID30610717,
MFCD11574827,
ZINC13642072,
AKOS002678280,
TR-015376,
K-8321,
2',4'-Dichloro[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylicacid, 2',4'-dichloro-,
2,4-Dichlorobiphenyl-3-carboxylic acid,
|
| Complexity | 283 |
| 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 | 4.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number