| CAS Number | 223671-16-7 |
| Catalog Number | AG00BIFH(AGN-PC-0WABVF) |
| Chemical Name | 6-BroMoisoquinoline 2-oxide |
| IUPAC Name | 6-bromo-2-oxidoisoquinolin-2-ium |
| InChI | InChI=1S/C9H6BrNO/c10-9-2-1-8-6-11(12)4-3-7(8)5-9/h1-6H |
| InChI Key | QNNTUJSIGVWFAS-UHFFFAOYSA-N |
| MDL Number | MFCD20483639 |
| Molecular Formula | C9H6BrNO |
| Molecular Weight | 224.0540 |
| SMILES | Brc1ccc2c(c1)cc[n+](c2)[O-] |
| Synonyms | 6-Bromoisoquinoline 2-oxide,
223671-16-7,
6-bromoisoquinoline N-oxide,
6-Bromo-isoquinoline 2-oxide,
6-Bromo-isoquinoline-2-oxide,
SCHEMBL1536308,
QNNTUJSIGVWFAS-UHFFFAOYSA-N,
ZINC95495975,
AKOS022180367,
V4496,
C9H6BrNO,
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| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.057g/mol |
| Monoisotopic Mass | 222.963g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 25.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number