| CAS Number | 196617-13-7 |
| Catalog Number | AG01AJDD |
| Chemical Name | 3-([(3,4-Dichlorophenyl)carbamoyl]amino)benzoic acid |
| IUPAC Name | 3-[(3,4-dichlorophenyl)carbamoylamino]benzoic acid |
| InChI | InChI=1S/C14H10Cl2N2O3/c15-11-5-4-10(7-12(11)16)18-14(21)17-9-3-1-2-8(6-9)13(19)20/h1-7H,(H,19,20)(H2,17,18,21) |
| InChI Key | RAPJIPXYCVHSNT-UHFFFAOYSA-N |
| MDL Number | MFCD00090069 |
| Molecular Formula | C14H10Cl2N2O3 |
| Molecular Weight | 325.1468 |
| SMILES | OC(C1=CC(NC(NC2=CC(Cl)=C(Cl)C=C2)=O)=CC=C1)=O |
| Synonyms | 3-{[(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid,
196617-13-7,
AC1N2VYG,
AC1Q73KA,
3-[(3,4-dichlorophenyl)carbamoylamino]benzoic Acid,
ZINC397530,
STL453166,
AKOS002271833,
MCULE-4522358130,
NE39617,
ST50159748,
EN300-80426,
3-{[N-(3,4-dichlorophenyl)carbamoyl]amino}benzoic acid,
Z111760798,
68Q,
CID4102909,
|
| Complexity | 394 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 325.145g/mol |
| Monoisotopic Mass | 324.007g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number