| CAS Number | 39263-98-4 |
| Catalog Number | AG019HZR(AGN-PC-0KFG1Y) |
| Chemical Name | 3,5-Dichloro-2-(2-chloroacetamido)benzoic acid |
| IUPAC Name | 3,5-dichloro-2-[(2-chloroacetyl)amino]benzoic acid |
| InChI | InChI=1S/C9H6Cl3NO3/c10-3-7(14)13-8-5(9(15)16)1-4(11)2-6(8)12/h1-2H,3H2,(H,13,14)(H,15,16) |
| InChI Key | XQEXUNLSFWPBMA-UHFFFAOYSA-N |
| MDL Number | MFCD03210691 |
| Molecular Formula | C9H6Cl3NO3 |
| Molecular Weight | 282.5078 |
| SMILES | OC(C1=C(NC(CCl)=O)C(Cl)=CC(Cl)=C1)=O |
| Synonyms | 3,5-dichloro-2-(2-chloroacetamido)benzoic acid,
3,5-Dichloro-2-(2-chloro-acetylamino)-benzoic acid,
39263-98-4,
AC1M6AV0,
AC1Q72FQ,
3,5-dichloro-2-[(2-chloroacetyl)amino]benzoic Acid,
CTK6H5323,
ZINC3252729,
AKOS030661573,
MCULE-9164899030,
NE32885,
EN300-05217,
SR-01000043235,
SR-01000043235-1,
CID2369651,
|
| Complexity | 287 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.941g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.501g/mol |
| Monoisotopic Mass | 280.941g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number