| CAS Number | 949139-74-6 |
| Catalog Number | AG01E3MT |
| Chemical Name | 1-bromo-6,7-dimethoxyisoquinoline |
| IUPAC Name | 1-bromo-6,7-dimethoxyisoquinoline |
| InChI | InChI=1S/C11H10BrNO2/c1-14-9-5-7-3-4-13-11(12)8(7)6-10(9)15-2/h3-6H,1-2H3 |
| InChI Key | XJERWSWRQPHTIK-UHFFFAOYSA-N |
| MDL Number | MFCD18260320 |
| Molecular Formula | C11H10BrNO2 |
| Molecular Weight | 268.1066 |
| SMILES | COC1=C(OC)C=C2C(C=CN=C2Br)=C1 |
| Synonyms | 1-BROMO-6,7-DIMETHOXYISOQUINOLINE,
949139-74-6,
SCHEMBL4655621,
DTXSID70615589,
XJERWSWRQPHTIK-UHFFFAOYSA-N,
1-bromo-6,7-dimethoxy-isoquinoline,
ZINC71482523,
1-bromanyl-6,7-dimethoxy-isoquinoline,
Isoquinoline, 1-bromo-6,7-dimethoxy-,
DA-17435,
SC-51337,
FT-0717721,
A845123,
|
| Complexity | 215 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 266.989g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.11g/mol |
| Monoisotopic Mass | 266.989g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number