| CAS Number | 17714-02-2 |
| Catalog Number | AG00254J(AGN-PC-0KO03O) |
| Chemical Name | 2-Amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide(Clonazepam Impurity) |
| IUPAC Name | 2-amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide |
| InChI | InChI=1S/C15H12ClN3O4/c16-12-4-2-1-3-10(12)15(21)11-7-9(19(22)23)5-6-13(11)18-14(20)8-17/h1-7H,8,17H2,(H,18,20) |
| InChI Key | VDWHFAAXPZFFEI-UHFFFAOYSA-N |
| MDL Number | MFCD21363491 |
| Molecular Formula | C15H12ClN3O4 |
| Molecular Weight | 333.7265 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N=C(CN)O)Cl |
| Synonyms | AC1MIEHR,
17714-02-2,
2-amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide,
(Clonazepam Impurity)",
DTXSID10388568,
ZINC33611404,
FT-0661695,
2-Amino-2'-(o-chlorobenzoyl)-4'-nitroacetanilide,
2-(2-Aminoacetamido)-2'-chloro-5-nitrobenzophenone,
2-Amino-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide(Clonazepam Impurity),
CID3023245,
2-Amino-2/'-(o-chlorobenzoyl)-4/'-nitroacetanilide,
2-amino-N-[2-(2-chlorobenzoyl)-4-nitro-phenyl]acetamide,
|
| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.728g/mol |
| Monoisotopic Mass | 333.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 118A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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