| CAS Number | 1090012-11-5 |
| Catalog Number | AG019UKR |
| Chemical Name | N-(2-nitrophenyl)pyrrolidine-1-carboxamide |
| IUPAC Name | N-(2-nitrophenyl)pyrrolidine-1-carboxamide |
| InChI | InChI=1S/C11H13N3O3/c15-11(13-7-3-4-8-13)12-9-5-1-2-6-10(9)14(16)17/h1-2,5-6H,3-4,7-8H2,(H,12,15) |
| InChI Key | GVXZLOXHFCMWRT-UHFFFAOYSA-N |
| MDL Number | MFCD11728278 |
| Molecular Formula | C11H13N3O3 |
| Molecular Weight | 235.2392 |
| SMILES | [O-][N+](C1=C(NC(N2CCCC2)=O)C=CC=C1)=O |
| Synonyms | N-(2-nitrophenyl)pyrrolidine-1-carboxamide,
1090012-11-5,
AC1Q1X0P,
CTK7G3086,
ZINC24233146,
AKOS029901843,
MCULE-2800577814,
NE32485,
EN300-41982,
AB00994818-01,
Z44585804,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.096g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.243g/mol |
| Monoisotopic Mass | 235.096g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number