5-acetyl-10-bromo-5H-dibenz[b,f]azepine

HCID 540901

Notes Reactions

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Basic information

CAS: 28941-65-3
Standard SMILES: CC(=O)N1c2ccccc2C=C(Br)c2ccccc21
InChIKey: RFLOWQIDXYCARJ-UHFFFAOYSA-N
Molecular formula: C16H12BrNO
Average molar mass: 314.18 g/mol
Monoisotopic mass: 313.01023

Names & identifiers

Preferred name: 5-acetyl-10-bromo-5H-dibenz[b,f]azepine
IUPAC: 1-(5-bromobenzo[b][1]benzazepin-11-yl)ethanone

Names & synonyms

5-acetyl-10-bromo-5H-dibenz[b,f]azepine28941-65-35-Acetyl-10-bromo-5H-dibenzo[b,f]azepineSCHEMBL6648031DTXSID603372631-(10-Bromo-5H-dibenzo[b,f]azepin-5-yl)ethan-1-one

Database identifiers

CAS: 28941-65-3
PubChem CID: 540901
DTXSID: DTXSID60337263
Nikkaji: J488.439F

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 19
Formal charge: 0
Complexity: 392

Related reactions

2 records

New reaction record

HRID 960668As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1287594As reactantuspto-grants-1976_10

Compound notes

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