| CAS Number | 33141-24-1 |
| Catalog Number | AG01AAIZ(AGN-PC-0NI3JL) |
| Chemical Name | 3-[(2-Nitrophenyl)amino]propanenitrile |
| IUPAC Name | 3-(2-nitroanilino)propanenitrile |
| InChI | InChI=1S/C9H9N3O2/c10-6-3-7-11-8-4-1-2-5-9(8)12(13)14/h1-2,4-5,11H,3,7H2 |
| InChI Key | ZQKFBSKOWZERDS-UHFFFAOYSA-N |
| MDL Number | MFCD11043170 |
| Molecular Formula | C9H9N3O2 |
| Molecular Weight | 191.1867 |
| SMILES | [O-][N+](C1=C(NCCC#N)C=CC=C1)=O |
| Synonyms | 3-[(2-nitrophenyl)amino]propanenitrile,
33141-24-1,
Propanenitrile, 3-[(2-nitrophenyl)amino]-,
AC1Q1X1J,
SCHEMBL6203012,
3-(o-nitrophenylamino)propionitrile,
ZINC33432820,
AKOS006242412,
NE14845,
EN300-68739,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.19g/mol |
| Monoisotopic Mass | 191.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number