| CAS Number | 850349-00-7 |
| Catalog Number | AG00G485(AGN-PC-0UWSWE) |
| Chemical Name | 4-bromo-5,6,7,8-tetrahydroisoquinoline |
| IUPAC Name | 4-bromo-5,6,7,8-tetrahydroisoquinoline |
| InChI | InChI=1S/C9H10BrN/c10-9-6-11-5-7-3-1-2-4-8(7)9/h5-6H,1-4H2 |
| InChI Key | PUMLCNFYVSGGIU-UHFFFAOYSA-N |
| MDL Number | MFCD08706059 |
| Molecular Formula | C9H10BrN |
| Molecular Weight | 212.0864 |
| SMILES | BrC1=C2C(CCCC2)=CN=C1 |
| Synonyms | 4-BROMO-5,6,7,8-TETRAHYDROISOQUINOLINE,
850349-00-7,
4-Bromo-5,6,7,8-tetrahydro-isoquinoline,
SCHEMBL19559654,
DTXSID40590091,
ZINC15042117,
AKOS015900857,
AS-42313,
FS000680,
I14-15899,
|
| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.09g/mol |
| Monoisotopic Mass | 211g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number