| CAS Number | 186413-77-4 |
| Catalog Number | AG00ASW5(AGN-PC-0NBJY1) |
| Chemical Name | 6-chloro-2-isopropoxy-3-nitropyridine |
| IUPAC Name | 6-chloro-3-nitro-2-propan-2-yloxypyridine |
| InChI | InChI=1S/C8H9ClN2O3/c1-5(2)14-8-6(11(12)13)3-4-7(9)10-8/h3-5H,1-2H3 |
| InChI Key | DKFKAZUTHFILIQ-UHFFFAOYSA-N |
| MDL Number | MFCD31631813 |
| Molecular Formula | C8H9ClN2O3 |
| Molecular Weight | 216.6217 |
| SMILES | CC(OC1=C([N+]([O-])=O)C=CC(Cl)=N1)C |
| Synonyms | 6-chloro-2-isopropoxy-3-nitropyridine,
186413-77-4,
6-chloro-3-nitro-2-(propan-2-yloxy)pyridine,
SCHEMBL4652565,
DKFKAZUTHFILIQ-UHFFFAOYSA-N,
ZINC34520911,
AKOS009331317,
2-Isopropoxy-3-nitro-6-chloropyridine,
AS-44032,
FT-0713130,
Pyridine, 6-chloro-2-(1-methylethoxy)-3-nitro-,
CID10846412,
6-chloro-3-nitro-2-propan-2-yloxy-pyridine,
860249-97-4,
|
| Complexity | 207 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.621g/mol |
| Monoisotopic Mass | 216.03g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number