| CAS Number | 353293-50-2 |
| Catalog Number | AG01AC2Y |
| Chemical Name | 2-(Benzyloxy)-6-chloro-3-nitropyridine |
| IUPAC Name | 6-chloro-3-nitro-2-phenylmethoxypyridine |
| InChI | InChI=1S/C12H9ClN2O3/c13-11-7-6-10(15(16)17)12(14-11)18-8-9-4-2-1-3-5-9/h1-7H,8H2 |
| InChI Key | NVBPUWHAXMBULS-UHFFFAOYSA-N |
| MDL Number | MFCD11543848 |
| Molecular Formula | C12H9ClN2O3 |
| Molecular Weight | 264.6645 |
| SMILES | [O-][N+](C1=C(OCC2=CC=CC=C2)N=C(Cl)C=C1)=O |
| Synonyms | 2-(Benzyloxy)-6-chloro-3-nitropyridine,
353293-50-2,
SCHEMBL4651284,
NVBPUWHAXMBULS-UHFFFAOYSA-N,
ZINC37331497,
6-chloro-2-benzyloxy-3-nitropyridine,
NE45880,
A1-11742,
|
| Complexity | 279 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.665g/mol |
| Monoisotopic Mass | 264.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number