| CAS Number | 1204334-25-7 |
| Catalog Number | AG01BX5S |
| Chemical Name | 7-Bromoisoquinoline-1-carbonitrile |
| IUPAC Name | 7-bromoisoquinoline-1-carbonitrile |
| InChI | InChI=1S/C10H5BrN2/c11-8-2-1-7-3-4-13-10(6-12)9(7)5-8/h1-5H |
| InChI Key | QSIXWRLIZIRUDP-UHFFFAOYSA-N |
| MDL Number | MFCD18253941 |
| Molecular Formula | C10H5BrN2 |
| Molecular Weight | 233.0641 |
| SMILES | BrC1=CC2=C(C=CN=C2C#N)C=C1 |
| Synonyms | 7-bromoisoquinoline-1-carbonitrile,
1204334-25-7,
ZINC82766656,
AKOS022879641,
|
| Complexity | 232 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.068g/mol |
| Monoisotopic Mass | 231.964g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number