| CAS Number | 104373-98-0 |
| Catalog Number | AG01B8D6(AGN-PC-00NPMJ) |
| Chemical Name | N-(2-nitrophenyl)prop-2-enamide |
| IUPAC Name | N-(2-nitrophenyl)prop-2-enamide |
| InChI | InChI=1S/C9H8N2O3/c1-2-9(12)10-7-5-3-4-6-8(7)11(13)14/h2-6H,1H2,(H,10,12) |
| InChI Key | OODUHVPBMHKUKK-UHFFFAOYSA-N |
| MDL Number | MFCD12124251 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | [O-][N+](C1=C(NC(C=C)=O)C=CC=C1)=O |
| Synonyms | N-(2-nitrophenyl)prop-2-enamide,
104373-98-0,
2-Propenamide, N-(2-nitrophenyl)-,
N-(2-Nitrophenyl)acrylamide,
SCHEMBL195876,
ZINC34133700,
AKOS009892889,
FCH5071599,
BBV-27172862,
EN300-200556,
Z2628013006,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number