| CAS Number | 112033-47-3 |
| Catalog Number | AG01A66C(AGN-PC-001OGY) |
| Chemical Name | N-Cyclopropyl-4-nitroaniline |
| IUPAC Name | N-cyclopropyl-4-nitroaniline |
| InChI | InChI=1S/C9H10N2O2/c12-11(13)9-5-3-8(4-6-9)10-7-1-2-7/h3-7,10H,1-2H2 |
| InChI Key | VTJZKYAGHWZYQC-UHFFFAOYSA-N |
| MDL Number | MFCD11122421 |
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.1879 |
| SMILES | O=[N+](C1=CC=C(C=C1)NC2CC2)[O-] |
| Synonyms | N-cyclopropyl-4-nitroaniline,
112033-47-3,
SCHEMBL7711892,
N-Cyclopropyl-4-nitro-phenylamine,
VTJZKYAGHWZYQC-UHFFFAOYSA-N,
ZINC21509896,
AKOS008923715,
MCULE-8542338903,
NE54545,
AB01002882-01,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.191g/mol |
| Monoisotopic Mass | 178.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number