| CAS Number | 956576-42-4 |
| Catalog Number | AG01FOD6(AGN-PC-0WBYCL) |
| Chemical Name | 2-chloro-N-(4-chloro-3-nitrophenyl)propanamide |
| IUPAC Name | 2-chloro-N-(4-chloro-3-nitrophenyl)propanamide |
| InChI | InChI=1S/C9H8Cl2N2O3/c1-5(10)9(14)12-6-2-3-7(11)8(4-6)13(15)16/h2-5H,1H3,(H,12,14) |
| InChI Key | FOPBVFOFCVMMDI-UHFFFAOYSA-N |
| Molecular Formula | C9H8Cl2N2O3 |
| Molecular Weight | 263.0774 |
| SMILES | O=C(C(Cl)C)Nc1ccc(c(c1)N(=O)=O)Cl |
| Synonyms | 2-chloro-N-(4-chloro-3-nitrophenyl)propanamide,
956576-42-4,
CTK7F4287,
ALBB-002379,
ZX-AN002360,
MFCD09971923,
STK501969,
AKOS005171056,
TR-052500,
BB 0261885,
Y-9320,
|
| Complexity | 282 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.074g/mol |
| Monoisotopic Mass | 261.991g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number