| CAS Number | 92259-89-7 |
| Catalog Number | AG016GWS(AGN-PC-0KYFPG) |
| Chemical Name | 6-Chloro-N1,N1-dimethyl-4-nitrobenzene-1,3-diamine |
| IUPAC Name | 4-chloro-3-N,3-N-dimethyl-6-nitrobenzene-1,3-diamine |
| InChI | InChI=1S/C8H10ClN3O2/c1-11(2)7-4-6(10)8(12(13)14)3-5(7)9/h3-4H,10H2,1-2H3 |
| InChI Key | IEISRCKEUVPSKZ-UHFFFAOYSA-N |
| MDL Number | MFCD00247495 |
| Molecular Formula | C8H10ClN3O2 |
| Molecular Weight | 215.6369 |
| SMILES | C1(=C(N)C=C(C(Cl)=C1)N(C)C)[N+](=O)[O-] |
| Synonyms | 92259-89-7,
AC1MV2PZ,
ZINC5319202,
AKOS000425333,
4-chloro-N3,N3-dimethyl-6-nitro-benzene-1,3-diamine,
4-chloro-3-N,3-N-dimethyl-6-nitrobenzene-1,3-diamine,
6-CHLORO-N1,N1-DIMETHYL-4-NITROBENZENE-1,3-DIAMINE,
CID3676702,
4-chloro-N',N'-dimethyl-6-nitro-benzene-1,3-diamine,
|
| Complexity | 219 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.637g/mol |
| Monoisotopic Mass | 215.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number