4-(2-bromophenyl)-6,7-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
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Basic information
- CAS
486991-25-7- Standard SMILES
Clc1ccc2c(c1Cl)N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@@H]21- InChIKey
YUYFPKLXVWDGBI-VGTOOOLASA-N- Molecular formula
- C18H14BrCl2N
- Average molar mass
- 395.1 g/mol
- Monoisotopic mass
- 392.96867
Names & identifiers
- Preferred name
- 4-(2-bromophenyl)-6,7-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
- IUPAC
- (3aS,4R,9bR)-4-(2-bromophenyl)-6,7-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
- English name
- 4-(2-bromophenyl)-6,7-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
- Molecular formula
- C18H14BrCl2N
- Molecular weight
- 395.12
Names & synonyms
4-(2-bromophenyl)-6,7-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolineAH-487/14404047(3aS,4R,9bR)-4-(2-bromophenyl)-6,7-dichloro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline
Database identifiers
- CAS
486991-25-7- PubChem CID
- 11836925
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Boiling point
- 457.821 · 457.821±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.496 · 1.496±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 1.519 · 1.519±0.40(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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