| CAS Number | 948294-53-9 |
| Catalog Number | AG00IIKY |
| Chemical Name | 2-Chloro-3-(2-chloroethyl)-7-bromoquinoline |
| IUPAC Name | 7-bromo-2-chloro-3-(2-chloroethyl)quinoline |
| InChI | InChI=1S/C11H8BrCl2N/c12-9-2-1-7-5-8(3-4-13)11(14)15-10(7)6-9/h1-2,5-6H,3-4H2 |
| InChI Key | RAPFUVRBDXXAHY-UHFFFAOYSA-N |
| MDL Number | MFCD09787622 |
| Molecular Formula | C11H8BrCl2N |
| Molecular Weight | 304.9979 |
| SMILES | ClCCc1cc2ccc(cc2nc1Cl)Br |
| Synonyms | 2-Chloro-3-(2-chloroethyl)-7-bromoquinoline,
948294-53-9,
7-bromo-2-chloro-3-(2-chloroethyl)quinoline,
CTK8E3854,
DTXSID90588948,
MFCD09787622,
ZINC32099340,
AB51826,
OR307896,
DB-080112,
RT-007548,
FT-0753139,
T6834,
2-Chloro-3-(2-chloroethyl)-7-bromoquinoline, AldrichCPR,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.922g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.996g/mol |
| Monoisotopic Mass | 302.922g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.9A^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