| CAS Number | 1248015-82-8 |
| Catalog Number | AG019S0X |
| Chemical Name | 2-chloro-N-(2-methoxyethyl)-6-nitroaniline |
| IUPAC Name | 2-chloro-N-(2-methoxyethyl)-6-nitroaniline |
| InChI | InChI=1S/C9H11ClN2O3/c1-15-6-5-11-9-7(10)3-2-4-8(9)12(13)14/h2-4,11H,5-6H2,1H3 |
| InChI Key | GCQRISYYSKNYIX-UHFFFAOYSA-N |
| MDL Number | MFCD16672100 |
| Molecular Formula | C9H11ClN2O3 |
| Molecular Weight | 230.6482 |
| SMILES | COCCNC1=C([N+]([O-])=O)C=CC=C1Cl |
| Synonyms | 2-chloro-N-(2-methoxyethyl)-6-nitroaniline,
1248015-82-8,
ZINC50351808,
AKOS011364300,
NE16049,
EN300-91364,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.648g/mol |
| Monoisotopic Mass | 230.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 67.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number