| CAS Number | 1369199-73-4 |
| Catalog Number | AG01C55Y |
| Chemical Name | 4-bromo-1-chloro-7-fluoroisoquinoline |
| IUPAC Name | 4-bromo-1-chloro-7-fluoroisoquinoline |
| InChI | InChI=1S/C9H4BrClFN/c10-8-4-13-9(11)7-3-5(12)1-2-6(7)8/h1-4H |
| InChI Key | QMJDYOOSBFYAQD-UHFFFAOYSA-N |
| MDL Number | MFCD11870524 |
| Molecular Formula | C9H4BrClFN |
| Molecular Weight | 260.4902 |
| SMILES | FC1=CC2=C(C(=CN=C2Cl)Br)C=C1 |
| Synonyms | 4-bromo-1-chloro-7-fluoroisoquinoline,
1369199-73-4,
ZINC82767443,
AKOS022880422,
|
| 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 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number