| CAS Number | 16552-67-3 |
| Catalog Number | AG00ASJR(AGN-PC-03G1NH) |
| Chemical Name | 5-Bromo-3-methyl-2-azanaphthalene |
| IUPAC Name | 5-bromo-3-methylisoquinoline |
| InChI | InChI=1S/C10H8BrN/c1-7-5-9-8(6-12-7)3-2-4-10(9)11/h2-6H,1H3 |
| InChI Key | ZYWCKIAWFQINJC-UHFFFAOYSA-N |
| MDL Number | MFCD18260472 |
| Molecular Formula | C10H8BrN |
| Molecular Weight | 222.0812 |
| SMILES | Cc1ncc2c(c1)c(Br)ccc2 |
| Synonyms | 5-Bromo-3-methylisoquinoline,
16552-67-3,
3-Methyl-5-bromoisoquinoline,
SCHEMBL2171256,
Isoquinoline, 5-bromo-3-methyl-,
ZYWCKIAWFQINJC-UHFFFAOYSA-N,
5-Bromo-3-methyl-2-azanaphthalene,
ZX-AT000755,
MFCD18260472,
ZINC82767301,
FCH1366415,
OR300085,
FT-0756471,
5-bromo-3-methylisoquinoline, 95% - 1G 1g,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.085g/mol |
| Monoisotopic Mass | 220.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number