| CAS Number | 119457-11-3 |
| Catalog Number | AG008XEF(AGN-PC-0LALK5) |
| Chemical Name | 2-NITRO-4-(2-CHLOROACETYL)-ACETANILIDE |
| IUPAC Name | N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide |
| InChI | InChI=1S/C10H9ClN2O4/c1-6(14)12-8-3-2-7(10(15)5-11)4-9(8)13(16)17/h2-4H,5H2,1H3,(H,12,14) |
| InChI Key | STJQUSFKJADNSQ-UHFFFAOYSA-N |
| MDL Number | MFCD02660632 |
| Molecular Formula | C10H9ClN2O4 |
| Molecular Weight | 256.6425 |
| SMILES | ClCC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(=O)C |
| Synonyms | 119457-11-3,
2-Nitro-4-(2-chloroacetyl)-acetanilide,
N-[4-(2-chloroacetyl)-2-nitrophenyl]acetamide,
AC1N9AH9,
SCHEMBL571622,
ZINC4349944,
MFCD02660632,
SBB003108,
4-acetylamino-3-nitrophenacyl chloride,
AKOS015908896,
2-Nitro-4-(2-chloroacetyl)acetanilide,
N-{4-(chloroacetyl)-2-nitrophenyl}acetamide,
N-[4-(2-chloroacetyl)-2-nitrophenyl]-acetamide,
AQ-358/40524980,
Acetamide, N-[4-(2-chloroacetyl)-2-nitrophenyl]-,
I14-34291,
4-(Chloroacetyl)-2-nitroacetanilide,
CID4407548,
n-(4-(2-chloroacetyl)-2-nitrophenyl)acetamide,
N-[4-(2-chloroacetyl)-2-nitro-phenyl]acetamide,
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| Complexity | 329 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.642g/mol |
| Monoisotopic Mass | 256.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 92A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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