| CAS Number | 948290-77-5 |
| Catalog Number | AG005V24(AGN-PC-01A9JS) |
| Chemical Name | 6-Bromo-2-chloro-3-chloromethylquinoline |
| IUPAC Name | 6-bromo-2-chloro-3-(chloromethyl)quinoline |
| InChI | InChI=1S/C10H6BrCl2N/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,5H2 |
| InChI Key | ICFHBEBSACQCJB-UHFFFAOYSA-N |
| MDL Number | MFCD09787655 |
| Molecular Formula | C10H6BrCl2N |
| Molecular Weight | 290.9713 |
| SMILES | ClCC1=CC2=CC(Br)=CC=C2N=C1Cl |
| Synonyms | 6-Bromo-2-chloro-3-chloromethylquinoline,
948290-77-5,
6-bromo-2-chloro-3-(chloromethyl)quinoline,
SCHEMBL1767828,
CTK8E5346,
DTXSID20588976,
ICFHBEBSACQCJB-UHFFFAOYSA-N,
MFCD09787655,
ZINC11985119,
AKOS009307698,
AB51914,
DA-00390,
RT-010559,
FT-0763090,
T6795,
Quinoline,6-bromo-2-chloro-3-(chloromethyl)-,
Quinoline, 6-bromo-2-chloro-3-(chloromethyl)-,
6-Bromo-2-chloro-3-chloromethylquinoline, AldrichCPR,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 288.906g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.969g/mol |
| Monoisotopic Mass | 288.906g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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