| CAS Number | 1256794-48-5 |
| Catalog Number | AG01DYLZ |
| Chemical Name | Methyl 6-bromoisoquinoline-4-carboxylate |
| IUPAC Name | methyl 6-bromoisoquinoline-4-carboxylate |
| InChI | InChI=1S/C11H8BrNO2/c1-15-11(14)10-6-13-5-7-2-3-8(12)4-9(7)10/h2-6H,1H3 |
| InChI Key | LQNPZRWYMUESFQ-UHFFFAOYSA-N |
| MDL Number | MFCD18260309 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | BrC=1C=C2C(=CN=CC2=CC1)C(=O)OC |
| Synonyms | methyl 6-bromoisoquinoline-4-carboxylate,
1256794-48-5,
SCHEMBL17798648,
ZINC238334888,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.974g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 266.094g/mol |
| Monoisotopic Mass | 264.974g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number