| CAS Number | 85274-57-3 |
| Catalog Number | AG008FP2(AGN-PC-0LQ3VT) |
| Chemical Name | 2-Chloro-6-methoxy-3-phenylquinoline |
| IUPAC Name | 2-chloro-6-methoxy-3-phenylquinoline |
| InChI | InChI=1S/C16H12ClNO/c1-19-13-7-8-15-12(9-13)10-14(16(17)18-15)11-5-3-2-4-6-11/h2-10H,1H3 |
| InChI Key | GGBHOBDCDNXFFD-UHFFFAOYSA-N |
| MDL Number | MFCD09998016 |
| Molecular Formula | C16H12ClNO |
| Molecular Weight | 269.7256 |
| SMILES | COc1ccc2c(c1)cc(c(n2)Cl)c1ccccc1 |
| Synonyms | 2-chloro-6-methoxy-3-phenylquinoline,
85274-57-3,
Quinoline-Containing Inhibitor 13,
AC1NS6GB,
CHEMBL69163,
BDBM5179,
CTK8F4193,
DTXSID10416178,
MFCD09998016,
ZINC14944889,
6-Methoxy-2-chloro-3-phenylquinoline,
OR309261,
T6680,
2-Chloro-6-methoxy-3-phenylquinoline, AldrichCPR,
CID5329279,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.728g/mol |
| Monoisotopic Mass | 269.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H318-H413
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P280-P301+P310-P305+P351+P338
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number