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Basic information
- Standard SMILES
CC(C)NCC1Cc2c(Cl)c(Cl)cc(Cl)c2O1- InChIKey
KYPJZHQGDIVQJL-UHFFFAOYSA-N- Molecular formula
- C12H14Cl3NO
- Average molar mass
- 294.6 g/mol
- Monoisotopic mass
- 293.014097
Names & identifiers
- Preferred name
- N-[(4,5,7-trichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine
- IUPAC
- N-[(4,5,7-trichloro-2,3-dihydro-1-benzofuran-2-yl)methyl]propan-2-amine
Database identifiers
- PubChem CID
- 36808
Properties
Computed structural propertiesFilling in
- XLogP
- 4.2
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
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Compound notes
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