| CAS Number | 881204-70-2 |
| Catalog Number | AG01BS2F(AGN-PC-0CZPYQ) |
| Chemical Name | 4-Bromo-5,6,7,8-tetrahydroquinoline |
| IUPAC Name | 4-bromo-5,6,7,8-tetrahydroquinoline |
| InChI | InChI=1S/C9H10BrN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h5-6H,1-4H2 |
| InChI Key | CQXCEWIDPHPVAH-UHFFFAOYSA-N |
| MDL Number | MFCD28647691 |
| Molecular Formula | C9H10BrN |
| Molecular Weight | 212.0864 |
| SMILES | BrC1=C2C(CCCC2)=NC=C1 |
| Synonyms | 4-bromo-5,6,7,8-tetrahydroquinoline,
881204-70-2,
SCHEMBL8264767,
CQXCEWIDPHPVAH-UHFFFAOYSA-N,
ZINC168442946,
|
| 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 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number