| CAS Number | 1096894-29-9 |
| Catalog Number | AG01BU0U |
| Chemical Name | N-cyclopropyl-2-iodo-5-nitrobenzamide |
| IUPAC Name | N-cyclopropyl-2-iodo-5-nitrobenzamide |
| InChI | InChI=1S/C10H9IN2O3/c11-9-4-3-7(13(15)16)5-8(9)10(14)12-6-1-2-6/h3-6H,1-2H2,(H,12,14) |
| InChI Key | CKIGRIBXLZAPEP-UHFFFAOYSA-N |
| MDL Number | MFCD12409056 |
| Molecular Formula | C10H9IN2O3 |
| Molecular Weight | 332.0945 |
| SMILES | [O-][N+](C1=CC(C(NC2CC2)=O)=C(I)C=C1)=O |
| Synonyms | N-cyclopropyl-2-iodo-5-nitrobenzamide,
1096894-29-9,
ZINC32487998,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 331.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 332.097g/mol |
| Monoisotopic Mass | 331.966g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number