| CAS Number | 521313-45-1 |
| Catalog Number | AG01C468(AGN-PC-0IEUYR) |
| Chemical Name | 8-Bromo-5-methoxyisoquinoline |
| IUPAC Name | 8-bromo-5-methoxyisoquinoline |
| InChI | InChI=1S/C10H8BrNO/c1-13-10-3-2-9(11)8-6-12-5-4-7(8)10/h2-6H,1H3 |
| InChI Key | XHGUNYMDWPMTEN-UHFFFAOYSA-N |
| MDL Number | MFCD22414512 |
| Molecular Formula | C10H8BrNO |
| Molecular Weight | 238.0806 |
| SMILES | COC1=C2C(C=NC=C2)=C(Br)C=C1 |
| Synonyms | 8-bromo-5-methoxyisoquinoline,
521313-45-1,
Isoquinoline, 8-bromo-5-methoxy-,
SCHEMBL5449879,
5-Methoxy-8-bromo-isoquinoline,
8-Bromo-5-methoxy-isoquinoline,
XHGUNYMDWPMTEN-UHFFFAOYSA-N,
MFCD22414512,
ZINC82767277,
AKOS022880263,
CS-W018379,
AS-43556,
Z2418194232,
N/A,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.084g/mol |
| Monoisotopic Mass | 236.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 22.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number