| CAS Number | 1261911-18-5 |
| Catalog Number | AG009X05(AGN-PC-0WABAX) |
| Chemical Name | 5-Chloro-3-(2,4-dichlorophenyl)benzoic acid |
| IUPAC Name | 3-chloro-5-(2,4-dichlorophenyl)benzoic acid |
| InChI | InChI=1S/C13H7Cl3O2/c14-9-1-2-11(12(16)6-9)7-3-8(13(17)18)5-10(15)4-7/h1-6H,(H,17,18) |
| InChI Key | BTQGANSTEJPECJ-UHFFFAOYSA-N |
| MDL Number | MFCD18321851 |
| Molecular Formula | C13H7Cl3O2 |
| Molecular Weight | 301.5525 |
| SMILES | Clc1cc(cc(c1)C(=O)O)c1ccc(cc1Cl)Cl |
| Synonyms | 5-CHLORO-3-(2,4-DICHLOROPHENYL)BENZOIC ACID,
1261911-18-5,
DTXSID20691217,
MFCD18321851,
ZINC65354288,
K-2433,
2',4',5-Trichloro[1,1'-biphenyl]-3-carboxylic acid,
3-chloro-5-(2,4-dichlorophenyl)benzoic acid,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.547g/mol |
| Monoisotopic Mass | 299.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number