| CAS Number | 780738-23-0 |
| Catalog Number | AG00GFEI(AGN-PC-0UCXM1) |
| Chemical Name | Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-6-methyl- (9CI) |
| IUPAC Name | 7-bromo-6-methyl-1,2,3,4-tetrahydroisoquinoline |
| InChI | InChI=1S/C10H12BrN/c1-7-4-8-2-3-12-6-9(8)5-10(7)11/h4-5,12H,2-3,6H2,1H3 |
| InChI Key | GLMATKSWEICTPR-UHFFFAOYSA-N |
| MDL Number | MFCD27957895 |
| Molecular Formula | C10H12BrN |
| Molecular Weight | 226.1130 |
| SMILES | Brc1cc2CNCCc2cc1C |
| Synonyms | 7-bromo-6-methyl-1,2,3,4-tetrahydroisoquinoline,
780738-23-0,
SCHEMBL18577020,
Isoquinoline, 7-bromo-1,2,3,4-tetrahydro-6-methyl- (9CI),
ZINC39110947,
CS-0050066,
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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 | 225.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.117g/mol |
| Monoisotopic Mass | 225.015g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number