2-Bromo-6-hydroxy-5,6-dihydro-7h-dibenzo[b,d]azepin-7-one
Basic information
- CAS
24127-33-1- Standard SMILES
O=C1c2ccccc2-c2cc(Br)ccc2NC1O- InChIKey
UZNMOZALASNFJH-UHFFFAOYSA-N- Molecular formula
- C14H10BrNO2
- Average molar mass
- 304.14 g/mol
- Monoisotopic mass
- 302.98949
Names & identifiers
- Preferred name
- 2-Bromo-6-hydroxy-5,6-dihydro-7h-dibenzo[b,d]azepin-7-one
- IUPAC
- 2-bromo-6-hydroxy-5,6-dihydrobenzo[d][1]benzazepin-7-one
Names & synonyms
MLS00292040824127-33-12-bromo-6-hydroxy-5,6-dihydro-7h-dibenzo[b,d]azepin-7-oneNSC137454CHEMBL2143582DTXSID90300521NSC-137454SMR001798000
Database identifiers
- CAS
24127-33-1- PubChem CID
- 283144
- DTXSID
DTXSID90300521- ChEMBL
CHEMBL2143582
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 336
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Compound notes
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