| CAS Number | 1204811-37-9 |
| Catalog Number | AG00934V(AGN-PC-0WR1QT) |
| Chemical Name | 3-Bromo-4,5,7-trichloroquinoline |
| IUPAC Name | 3-bromo-4,5,7-trichloroquinoline |
| InChI | InChI=1S/C9H3BrCl3N/c10-5-3-14-7-2-4(11)1-6(12)8(7)9(5)13/h1-3H |
| InChI Key | VGQJCRJFTCKEFT-UHFFFAOYSA-N |
| MDL Number | MFCD13193002 |
| Molecular Formula | C9H3BrCl3N |
| Molecular Weight | 311.3898 |
| SMILES | Clc1cc(Cl)c2c(c1)ncc(c2Cl)Br |
| Synonyms | 3-Bromo-4,5,7-trichloroquinoline,
1204811-37-9,
DTXSID60671210,
MFCD13193002,
ZINC41702457,
T6285,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.851g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.384g/mol |
| Monoisotopic Mass | 308.851g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number