| CAS Number | 1803600-33-0 |
| Catalog Number | AG01BCXT(AGN-PC-0WORW1) |
| Chemical Name | 3-Chloro-4-methyl-5-nitropyridine |
| IUPAC Name | 3-chloro-4-methyl-5-nitropyridine |
| InChI | InChI=1S/C6H5ClN2O2/c1-4-5(7)2-8-3-6(4)9(10)11/h2-3H,1H3 |
| InChI Key | QEIZEUNCWAJMLN-UHFFFAOYSA-N |
| MDL Number | MFCD28012344 |
| Molecular Formula | C6H5ClN2O2 |
| Molecular Weight | 172.5691 |
| SMILES | CC1=C([N+]([O-])=O)C=NC=C1Cl |
| Synonyms | 3-chloro-4-methyl-5-nitropyridine,
1803600-33-0,
ZINC96300610,
AKOS026742061,
NE45130,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.568g/mol |
| Monoisotopic Mass | 172.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 58.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number