| CAS Number | 170104-39-9 |
| Catalog Number | AG00AXDF |
| Chemical Name | 2-Chloro-N-cyclopropyl-4-nitroaniline |
| IUPAC Name | 2-chloro-N-cyclopropyl-4-nitroaniline |
| InChI | InChI=1S/C9H9ClN2O2/c10-8-5-7(12(13)14)3-4-9(8)11-6-1-2-6/h3-6,11H,1-2H2 |
| InChI Key | FUTFNWDOMRLGQG-UHFFFAOYSA-N |
| MDL Number | MFCD11117462 |
| Molecular Formula | C9H9ClN2O2 |
| Molecular Weight | 212.633 |
| SMILES | O=[N+](C1=CC=C(NC2CC2)C(Cl)=C1)[O-] |
| Synonyms | 2-Chloro-N-cyclopropyl-4-nitroaniline,
170104-39-9,
DTXSID10578326,
ZINC20546729,
AKOS008923717,
|
| 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 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number