7-Chloro-4-methyl-2,3,4,5-tetrahydroazepine-1-carbonyl chloride
Basic information
- CAS
28288-10-0- Standard SMILES
CC1CC=C(Cl)N(C(=O)Cl)CC1- InChIKey
FJFLRMDVQGBADX-UHFFFAOYSA-N- Molecular formula
- C8H11Cl2NO
- Average molar mass
- 208.08 g/mol
Names & identifiers
- Preferred name
- 7-Chloro-4-methyl-2,3,4,5-tetrahydroazepine-1-carbonyl chloride
- IUPAC
- 7-chloro-4-methyl-2,3,4,5-tetrahydroazepine-1-carbonyl chloride
- English name
- 1H-Azepine-1-carbonyl chloride, 7-chloro-2,3,4,5-tetrahydro-4-methyl- (8CI)
- Molecular formula
- C8H11Cl2NO
- Molecular weight
- 208.08504
Names & synonyms
1H-Azepine-1-carbonyl chloride, 7-chloro-2,3,4,5-tetrahydro-4-methyl- (8CI)
Database identifiers
- CAS
28288-10-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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