| CAS Number | 639009-97-5 |
| Catalog Number | AG003A19(AGN-PC-0MX2VG) |
| Chemical Name | 4-chloro-2-{[(3-iodophenyl)carbamoyl]amino}benzoic acid |
| IUPAC Name | 4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic acid |
| InChI | InChI=1S/C14H10ClIN2O3/c15-8-4-5-11(13(19)20)12(6-8)18-14(21)17-10-3-1-2-9(16)7-10/h1-7H,(H,19,20)(H2,17,18,21) |
| InChI Key | HDVLBTNZJJUZTI-UHFFFAOYSA-N |
| MDL Number | MFCD30533895 |
| Molecular Formula | C14H10ClIN2O3 |
| Molecular Weight | 416.5983 |
| SMILES | ClC1=CC(=C(C(=O)O)C=C1)NC(=O)NC1=CC(=CC=C1)I |
| Synonyms | CHEMBL154658,
639009-97-5,
4-chloro-2-[(3-iodophenyl)carbamoylamino]benzoic Acid,
SCHEMBL3965072,
BDBM50137129,
ZINC13531864,
AKOS012858579,
4-Chloro-2-[3-(3-iodo-phenyl)-ureido]-benzoic acid,
Benzoic acid, 4-chloro-2-[[[(3-iodophenyl)amino]carbonyl]amino]-,
CID10001987,
Benzoicacid,4-chloro-2-[[[(3-iodophenyl)amino]carbonyl]amino]-,
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| Complexity | 396 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 415.942g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.599g/mol |
| Monoisotopic Mass | 415.942g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number