| CAS Number | 1330750-67-8 |
| Catalog Number | AG009VX1(AGN-PC-0WR20R) |
| Chemical Name | Methyl 5-bromoisoquinoline-1-carboxylate |
| IUPAC Name | methyl 5-bromoisoquinoline-1-carboxylate |
| InChI | InChI=1S/C11H8BrNO2/c1-15-11(14)10-8-3-2-4-9(12)7(8)5-6-13-10/h2-6H,1H3 |
| InChI Key | RCILQBXGZOWWSG-UHFFFAOYSA-N |
| MDL Number | MFCD19981746 |
| Molecular Formula | C11H8BrNO2 |
| Molecular Weight | 266.0907 |
| SMILES | COC(C1=C2C(C(=CC=C2)Br)=CC=N1)=O |
| Synonyms | Methyl 5-bromoisoquinoline-1-carboxylate,
1330750-67-8,
5-bromo-1-Isoquinolinecarboxylic acid methyl ester,
ZX-AT001737,
MFCD19981746,
ZINC72207002,
OR300109,
|
| 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 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number