| CAS Number | 1204810-93-4 |
| Catalog Number | AG00935I(AGN-PC-0WR1MS) |
| Chemical Name | 3-Bromo-4-chloro-6-fluoroquinoline |
| IUPAC Name | 3-bromo-4-chloro-6-fluoroquinoline |
| InChI | InChI=1S/C9H4BrClFN/c10-7-4-13-8-2-1-5(12)3-6(8)9(7)11/h1-4H |
| InChI Key | NYHQVBUXWYXYLI-UHFFFAOYSA-N |
| MDL Number | MFCD13192958 |
| Molecular Formula | C9H4BrClFN |
| Molecular Weight | 260.4902 |
| SMILES | BrC=1C=NC2=CC=C(C=C2C1Cl)F |
| Synonyms | 3-Bromo-4-chloro-6-fluoroquinoline,
1204810-93-4,
DTXSID50671168,
MFCD13192958,
ZINC41702300,
T6279,
3-Bromo-4-chloro-6-fluoroquinoline, AldrichCPR,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.92g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.49g/mol |
| Monoisotopic Mass | 258.92g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number