Basic information
- Standard SMILES
CN1CCC(Oc2cccc(Cl)c2Cl)c2ccoc2C1- InChIKey
MXOHSQUXNTUQCK-UHFFFAOYSA-N- Molecular formula
- C15H15Cl2NO2
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 311.0479841
Names & identifiers
- Preferred name
- 4-(2,3-Dichlorophenyloxy)-7-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-c]azepine
- IUPAC
- 4-(2,3-dichlorophenoxy)-7-methyl-4,5,6,8-tetrahydrofuro[2,3-c]azepine
Names & synonyms
SCHEMBL2836900MXOHSQUXNTUQCK-UHFFFAOYSA-N4-(2,3-Dichlorophenyloxy)-7-methyl-5,6,7,8-tetrahydro-4H-furo[2,3-c]azepine
Database identifiers
- PubChem CID
- 24970327
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 25.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Compound notes
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