| CAS Number | 1026963-05-2 |
| Catalog Number | AG0096DA |
| Chemical Name | 4-Chloro-7-methoxy-3-nitroquinoline |
| IUPAC Name | 4-chloro-7-methoxy-3-nitroquinoline |
| InChI | InChI=1S/C10H7ClN2O3/c1-16-6-2-3-7-8(4-6)12-5-9(10(7)11)13(14)15/h2-5H,1H3 |
| InChI Key | HOCSOOBRPRKXSA-UHFFFAOYSA-N |
| MDL Number | MFCD17170303 |
| Molecular Formula | C10H7ClN2O3 |
| Molecular Weight | 238.6272 |
| SMILES | COC1=CC2=C(C(=C([N+]([O-])=O)C=N2)Cl)C=C1 |
| Synonyms | 4-chloro-7-methoxy-3-nitroquinoline,
1026963-05-2,
ZINC34483546,
4-chloro-7-methoxy-3-nitro-quinoline,
CID10799989,
quinoline, 4-chloro-7-methoxy-3-nitro-,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.627g/mol |
| Monoisotopic Mass | 238.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number