| CAS Number | 1157396-76-3 |
| Catalog Number | AG01A7KK(AGN-PC-0WO259) |
| Chemical Name | 4-chloro-N-(cyclopropylmethyl)-3-nitroaniline |
| IUPAC Name | 4-chloro-N-(cyclopropylmethyl)-3-nitroaniline |
| InChI | InChI=1S/C10H11ClN2O2/c11-9-4-3-8(5-10(9)13(14)15)12-6-7-1-2-7/h3-5,7,12H,1-2,6H2 |
| InChI Key | AKHSYBHJMONUHP-UHFFFAOYSA-N |
| MDL Number | MFCD12038222 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | [O-][N+](C1=C(Cl)C=CC(NCC2CC2)=C1)=O |
| Synonyms | 4-chloro-N-(cyclopropylmethyl)-3-nitroaniline,
1157396-76-3,
AC1Q1WYF,
CTK5I2825,
ZINC37061107,
AKOS008139796,
MCULE-1850179268,
NE38090,
EN300-59013,
Z1262245857,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.66g/mol |
| Monoisotopic Mass | 226.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number