| CAS Number | 304914-98-5 |
| Catalog Number | AG01AANM(AGN-PC-0WO4RE) |
| Chemical Name | 4-chloro-N-cyclopropyl-2-nitroaniline |
| IUPAC Name | 4-chloro-N-cyclopropyl-2-nitroaniline |
| InChI | InChI=1S/C9H9ClN2O2/c10-6-1-4-8(11-7-2-3-7)9(5-6)12(13)14/h1,4-5,7,11H,2-3H2 |
| InChI Key | RLRZFCKJIBVRIJ-UHFFFAOYSA-N |
| MDL Number | MFCD08448316 |
| Molecular Formula | C9H9ClN2O2 |
| Molecular Weight | 212.6330 |
| SMILES | [O-][N+](C1=C(NC2CC2)C=CC(Cl)=C1)=O |
| Synonyms | 4-chloro-N-cyclopropyl-2-nitroaniline,
304914-98-5,
AC1Q1X1A,
SCHEMBL2728614,
RLRZFCKJIBVRIJ-UHFFFAOYSA-N,
ZINC21008209,
AKOS005209118,
MCULE-4879575098,
NE41897,
Benzenamine, 4-chloro-N-cyclopropyl-2-nitro-,
EN300-69102,
Z31232840,
4-chloro-N-cyclopropyl-2-nitrobenzenamine,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.633g/mol |
| Monoisotopic Mass | 212.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number