1-(1,3,3a,4,7,7a-Hexahydroisoindol-2-yl)-2-(3,4-dichlorophenyl)ethanone
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Basic information
- Standard SMILES
O=C(Cc1ccc(Cl)c(Cl)c1)N1CC2CC=CCC2C1- InChIKey
UQLXOZYAPIBQAN-UHFFFAOYSA-N- Molecular formula
- C16H17Cl2NO
- Average molar mass
- 310.2 g/mol
- Monoisotopic mass
- 309.0687196
Names & identifiers
- Preferred name
- 1-(1,3,3a,4,7,7a-Hexahydroisoindol-2-yl)-2-(3,4-dichlorophenyl)ethanone
- IUPAC
- 1-(1,3,3a,4,7,7a-hexahydroisoindol-2-yl)-2-(3,4-dichlorophenyl)ethanone
Names & synonyms
SCHEMBL7384253
Database identifiers
- PubChem CID
- 20076665
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
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Related reactions
1 records
Compound notes
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