| CAS Number | 1800426-14-5 |
| Catalog Number | AG01C6LC |
| Chemical Name | 7-Bromo-4-Chlorocinnoline |
| IUPAC Name | 7-bromo-4-chlorocinnoline |
| InChI | InChI=1S/C8H4BrClN2/c9-5-1-2-6-7(10)4-11-12-8(6)3-5/h1-4H |
| InChI Key | MOFADOQZRGDCGG-UHFFFAOYSA-N |
| MDL Number | MFCD27921899 |
| Molecular Formula | C8H4BrClN2 |
| Molecular Weight | 243.4878 |
| SMILES | ClC1=C2C=CC(Br)=CC2=NN=C1 |
| Synonyms | 7-bromo-4-chlorocinnoline,
1800426-14-5,
4-Chloro-7-bromocinnoline,
SCHEMBL17075876,
MOFADOQZRGDCGG-UHFFFAOYSA-N,
AKOS033928038,
ZINC238513490,
Z2492799719,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.488g/mol |
| Monoisotopic Mass | 241.925g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number