3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
Basic information
- CAS
134076-61-2- Standard SMILES
CC1CC(=O)Nc2ccc(Cl)cc2O1- InChIKey
OBYMSPNSAICJJD-UHFFFAOYSA-N- Molecular formula
- C10H10ClNO2
- Average molar mass
- 211.64 g/mol
- Monoisotopic mass
- 211.0400063
Names & identifiers
- Preferred name
- 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
- IUPAC
- 8-chloro-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
- English name
- 3-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-one
- Molecular weight
- 0
Names & synonyms
134076-61-23-Chloro-6-methyl-6,7-dihydro-9H-5-oxa-9-azabenzocyclohepten-8-oneDTXSID70338645RefChem:278487DTXCID102897288-chloro-2-methyl-3,5-dihydro-2H-1,5-benzoxazepin-4-oneOBYMSPNSAICJJD-UHFFFAOYSA-N8-Chloro-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one8-Chloro-2-methyl-2,3-dihydro-1,5-benzoxazepin-4(5H)-one #
Database identifiers
- CAS
134076-61-2- PubChem CID
- 550429
- DTXSID
DTXSID70338645
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 234
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Related reactions
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Compound notes
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