| CAS Number | 541542-37-4 |
| Catalog Number | AG019WE3 |
| Chemical Name | 1-(5-chloro-2-nitrobenzoyl)pyrrolidine |
| IUPAC Name | (5-chloro-2-nitrophenyl)-pyrrolidin-1-ylmethanone |
| InChI | InChI=1S/C11H11ClN2O3/c12-8-3-4-10(14(16)17)9(7-8)11(15)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2 |
| InChI Key | SSHKTLSLBNQIPB-UHFFFAOYSA-N |
| MDL Number | MFCD03367024 |
| Molecular Formula | C11H11ClN2O3 |
| Molecular Weight | 254.6696 |
| SMILES | [O-][N+](C1=C(C(N2CCCC2)=O)C=C(Cl)C=C1)=O |
| Synonyms | 1-(5-chloro-2-nitrobenzoyl)pyrrolidine,
1-[(5-chloro-2-nitrophenyl)carbonyl]pyrrolidine,
541542-37-4,
AC1MO3G2,
AC1Q1WU4,
CTK7F5990,
ZINC6329415,
AKOS000154141,
MCULE-3631919889,
NE33948,
EN300-51657,
(5-chloro-2-nitrophenyl)-pyrrolidin-1-ylmethanone,
CID3337576,
(5-chloro-2-nitro-phenyl)-pyrrolidin-1-yl-methanone,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.67g/mol |
| Monoisotopic Mass | 254.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number