| CAS Number | 54057-49-7 |
| Catalog Number | AG00DBUE(AGN-PC-0SGF0E) |
| Chemical Name | 4-[(3,5-Dichlorobenzoyl)amino]benzoic acid |
| IUPAC Name | 4-[(3,5-dichlorobenzoyl)amino]benzoic acid |
| InChI | InChI=1S/C14H9Cl2NO3/c15-10-5-9(6-11(16)7-10)13(18)17-12-3-1-8(2-4-12)14(19)20/h1-7H,(H,17,18)(H,19,20) |
| InChI Key | LQMCIHFGIGMYME-UHFFFAOYSA-N |
| MDL Number | MFCD09042734 |
| Molecular Formula | C14H9Cl2NO3 |
| Molecular Weight | 310.1322 |
| SMILES | OC(C1=CC=C(NC(C2=CC(Cl)=CC(Cl)=C2)=O)C=C1)=O |
| Synonyms | 4-(3,5-dichlorobenzamido)benzoic acid,
54057-49-7,
4-[(3,5-dichlorobenzoyl)amino]benzoic acid,
Benzoic acid, 4-[(3,5-dichlorobenzoyl)amino]-,
PubChem19407,
AC1Q73C1,
SCHEMBL1459180,
CTK8F5536,
DTXSID60588157,
ZINC13166515,
AKOS002433761,
MCULE-2429696963,
NE23947,
4-[(3,5-dichlorobenzene)amido]benzoic acid,
EN300-36675,
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| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.996g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.13g/mol |
| Monoisotopic Mass | 308.996g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number