| CAS Number | 40073-36-7 |
| Catalog Number | AG01C5BT |
| Chemical Name | 3-bromoisoquinolin-1-amine |
| IUPAC Name | 3-bromoisoquinolin-1-amine |
| InChI | InChI=1S/C9H7BrN2/c10-8-5-6-3-1-2-4-7(6)9(11)12-8/h1-5H,(H2,11,12) |
| InChI Key | JFGHICQGSSFEHW-UHFFFAOYSA-N |
| MDL Number | MFCD03695826 |
| Molecular Formula | C9H7BrN2 |
| Molecular Weight | 223.0693 |
| SMILES | C1=CC=C2C(=C1)C=C(N=C2N)Br |
| Synonyms | 3-bromoisoquinolin-1-amine,
40073-36-7,
1-Isoquinolinamine, 3-bromo-,
AC1NOR3C,
SCHEMBL901331,
ZINC33704521,
AKOS034122653,
CID5092946,
N/A,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.073g/mol |
| Monoisotopic Mass | 221.979g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 38.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number