| CAS Number | 1209339-16-1 |
| Catalog Number | AG0093DR |
| Chemical Name | 4-Bromo-3-chloroquinoline |
| IUPAC Name | 4-bromo-3-chloroquinoline |
| InChI | InChI=1S/C9H5BrClN/c10-9-6-3-1-2-4-8(6)12-5-7(9)11/h1-5H |
| InChI Key | CEIUGGBALRQUPB-UHFFFAOYSA-N |
| MDL Number | MFCD13619679 |
| Molecular Formula | C9H5BrClN |
| Molecular Weight | 242.4997 |
| SMILES | Clc1cnc2c(c1Br)cccc2 |
| Synonyms | 4-Bromo-3-chloroquinoline,
1209339-16-1,
SCHEMBL16506046,
DTXSID70672632,
CEIUGGBALRQUPB-UHFFFAOYSA-N,
MFCD13619679,
ZINC41702562,
T6297,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.929g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.5g/mol |
| Monoisotopic Mass | 240.929g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number