| CAS Number | 51719-46-1 |
| Catalog Number | AG00DSWF(AGN-PC-0JU7N2) |
| Chemical Name | 1,2-Dichloro-3-methyl-5-nitrobenzene |
| IUPAC Name | 1,2-dichloro-3-methyl-5-nitrobenzene |
| InChI | InChI=1S/C7H5Cl2NO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H3 |
| InChI Key | WIHGUGAVEICYKF-UHFFFAOYSA-N |
| MDL Number | MFCD12974172 |
| Molecular Formula | C7H5Cl2NO2 |
| Molecular Weight | 206.0261 |
| SMILES | c1(c(c(cc(c1)[N+](=O)[O-])Cl)Cl)C |
| Synonyms | 1,2-dichloro-3-methyl-5-nitrobenzene,
51719-46-1,
AC1LD2AD,
2,3-Dichloro-5-nitrotoluene,
SCHEMBL6771134,
CTK8I9750,
ZINC32301932,
AKOS025132065,
NE24341,
benzene, 1,2-dichloro-3-methyl-5-nitro-,
InChI=1/C7H5Cl2NO2/c1-4-2-5(10(11)12)3-6(8)7(4)9/h2-3H,1H,
CID641156,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.022g/mol |
| Monoisotopic Mass | 204.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number