| CAS Number | 748801-92-5 |
| Catalog Number | AG00G9LX(AGN-PC-09O1CJ) |
| Chemical Name | 5-Chloro-3-(2,5-dichlorophenyl)benzoic acid |
| IUPAC Name | 3-chloro-5-(2,5-dichlorophenyl)benzoic acid |
| InChI | InChI=1S/C13H7Cl3O2/c14-9-1-2-12(16)11(6-9)7-3-8(13(17)18)5-10(15)4-7/h1-6H,(H,17,18) |
| InChI Key | ASEFQNSGEQMJPV-UHFFFAOYSA-N |
| MDL Number | MFCD18321875 |
| Molecular Formula | C13H7Cl3O2 |
| Molecular Weight | 301.5525 |
| SMILES | Clc1cc(cc(c1)c1cc(Cl)ccc1Cl)C(=O)O |
| Synonyms | 5-CHLORO-3-(2,5-DICHLOROPHENYL)BENZOIC ACID,
748801-92-5,
DTXSID40691239,
KM1650,
MFCD18321875,
ZINC65354307,
AKOS026673791,
2',5,5'-Trichlorobiphenyl-3-carboxylic acid,
2',5,5'-Trichloro[1,1'-biphenyl]-3-carboxylic acid,
3-chloro-5-(2,5-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 | 5.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number