8-Bromo-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
Basic information
- CAS
851045-03-9- Standard SMILES
O=C1CCCNc2cc(Br)ccc21- InChIKey
GWEGGKYDFCDMJK-UHFFFAOYSA-N- Molecular formula
- C10H10BrNO
- Average molar mass
- 240.1 g/mol
Names & identifiers
- Preferred name
- 8-Bromo-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one
- IUPAC
- 8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one
- English name
- 5H-1-Benzazepin-5-one, 8-bromo-1,2,3,4-tetrahydro-
- Molecular formula
- C10H10BrNO
- Molecular weight
- 240.1
Names & synonyms
851045-03-98-Bromo-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one8-bromo-1,2,3,4-tetrahydrobenzo[b]azepin-5-one8-bromo-1,2,3,4-tetrahydro-1-benzazepin-5-one5H-1-Benzazepin-5-one, 8-bromo-1,2,3,4-tetrahydro-SCHEMBL3532979GWEGGKYDFCDMJK-UHFFFAOYSA-NMFCD11977262SY3645458-Bromo-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one
Database identifiers
- CAS
851045-03-9
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 207
Physicochemical properties
- Boiling point
- 366.3 · 366.3±41.0 °C(Predicted)
- Density
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- pka
- 2.13 · 2.13±0.20(Predicted)
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Compound notes
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