Basic information
- Standard SMILES
Nc1c(Cl)ccc2c1C1CCCCC1O2- InChIKey
QXXZJJATOPHLGH-UHFFFAOYSA-N- Molecular formula
- C12H14ClNO
- Average molar mass
- 223.7 g/mol
Names & identifiers
- Preferred name
- 1-Amino-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran
- IUPAC
- 2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran-1-amine
Names & synonyms
SCHEMBL10592767QXXZJJATOPHLGH-UHFFFAOYSA-N1-amino-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzo-furan1-amino-2-chloro-5a,6,7,8,9,9a-hexahydrodibenzofuran
Database identifiers
- PubChem CID
- 19794430
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 248
Related reactions
3 records
Compound notes
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