| CAS Number | 85274-48-2 |
| Catalog Number | AG004UZ3(AGN-PC-00LF3W) |
| Chemical Name | 6-Bromo-2-chloro-3-phenylquinoline |
| IUPAC Name | 6-bromo-2-chloro-3-phenylquinoline |
| InChI | InChI=1S/C15H9BrClN/c16-12-6-7-14-11(8-12)9-13(15(17)18-14)10-4-2-1-3-5-10/h1-9H |
| InChI Key | KRUZBMLYYUQATF-UHFFFAOYSA-N |
| MDL Number | MFCD09997952 |
| Molecular Formula | C15H9BrClN |
| Molecular Weight | 318.5957 |
| SMILES | Brc1ccc2c(c1)cc(c(n2)Cl)c1ccccc1 |
| Synonyms | 6-Bromo-2-chloro-3-phenylquinoline,
85274-48-2,
SCHEMBL1786939,
CTK5F4681,
DTXSID30526960,
KRUZBMLYYUQATF-UHFFFAOYSA-N,
MFCD09997952,
ZINC32099752,
OR309271,
T6678,
6-Bromo-2-chloro-3-phenylquinoline, AldrichCPR,
2-Chloro-6-bromo-3-phenylquinoline,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.961g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 318.598g/mol |
| Monoisotopic Mass | 316.961g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.5 |
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