| CAS Number | 1072928-95-0 |
| Catalog Number | AG01AHXZ |
| Chemical Name | 2-chloro-6-nitro-N-propylaniline |
| IUPAC Name | 2-chloro-6-nitro-N-propylaniline |
| InChI | InChI=1S/C9H11ClN2O2/c1-2-6-11-9-7(10)4-3-5-8(9)12(13)14/h3-5,11H,2,6H2,1H3 |
| InChI Key | VYQKOVNOIVAEPD-UHFFFAOYSA-N |
| MDL Number | MFCD16672099 |
| Molecular Formula | C9H11ClN2O2 |
| Molecular Weight | 214.6488 |
| SMILES | CCCNC1=C([N+]([O-])=O)C=CC=C1Cl |
| Synonyms | 2-chloro-6-nitro-N-propylaniline,
1072928-95-0,
(2-chloro-6-nitro-phenyl)-propyl-amine,
SCHEMBL3631214,
VYQKOVNOIVAEPD-UHFFFAOYSA-N,
ZINC50351805,
AKOS011364110,
NE27801,
EN300-76122,
|
| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.649g/mol |
| Monoisotopic Mass | 214.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number