| CAS Number | 1087784-40-4 |
| Catalog Number | AG019MUR |
| Chemical Name | 1-(4-chloro-3-nitrophenyl)pyrrolidin-2-one |
| IUPAC Name | 1-(4-chloro-3-nitrophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H9ClN2O3/c11-8-4-3-7(6-9(8)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2 |
| InChI Key | FLDGVCUKWQCKKY-UHFFFAOYSA-N |
| MDL Number | MFCD11099539 |
| Molecular Formula | C10H9ClN2O3 |
| Molecular Weight | 240.6431 |
| SMILES | [O-][N+](C1=C(Cl)C=CC(N2C(=O)CCC2)=C1)=O |
| Synonyms | 1-(4-chloro-3-nitrophenyl)pyrrolidin-2-one,
1087784-40-4,
AC1Q1WXK,
CTK7H4077,
ZINC32627280,
AKOS030694818,
MCULE-4747543682,
NE14880,
EN300-37356,
AB00995181-01,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 240.643g/mol |
| Monoisotopic Mass | 240.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number