| CAS Number | 304684-54-6 |
| Catalog Number | AG00I5PY(AGN-PC-0WCUAT) |
| Chemical Name | 4-chloro-N-(3-nitrophenyl)butanamide |
| IUPAC Name | 4-chloro-N-(3-nitrophenyl)butanamide |
| InChI | InChI=1S/C10H11ClN2O3/c11-6-2-5-10(14)12-8-3-1-4-9(7-8)13(15)16/h1,3-4,7H,2,5-6H2,(H,12,14) |
| InChI Key | KNMIIQANYVGPTJ-UHFFFAOYSA-N |
| MDL Number | MFCD01918226 |
| Molecular Formula | C10H11ClN2O3 |
| Molecular Weight | 242.6589 |
| SMILES | [O-][N+](C1=CC(NC(CCCCl)=O)=CC=C1)=O |
| Synonyms | 4-chloro-N-(3-nitrophenyl)butanamide,
304684-54-6,
AC1Q1XDK,
AC1M5L8B,
SCHEMBL4749309,
ALBB-023586,
ZINC3264088,
MFCD01918226,
AKOS003490106,
MCULE-4622813390,
KS-0000354T,
butanamide, 4-chloro-N-(3-nitrophenyl)-,
UPCMLD0ENAT0506-4511:001,
R5080,
ST45025710,
EN300-27507,
2Y-0836,
ZINC03264088,
CID2380634,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.659g/mol |
| Monoisotopic Mass | 242.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number