(3aR,7S,7aR)-7-chloro-4,4-diphenyl-perhydroisoindole hydrochloride
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cl.Cl[C@H]1CCC(c2ccccc2)(c2ccccc2)[C@@H]2CNC[C@@H]21- InChIKey
XIFVRDPCHMNRJU-FQTISCLSSA-N- Molecular formula
- C20H23Cl2N
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 347.1207551
Names & identifiers
- Preferred name
- (3aR,7S,7aR)-7-chloro-4,4-diphenyl-perhydroisoindole hydrochloride
- IUPAC
- (3aR,4S,7aR)-4-chloro-7,7-diphenyl-1,2,3,3a,4,5,6,7a-octahydroisoindole;hydrochloride
Names & synonyms
SCHEMBL9267927XIFVRDPCHMNRJU-FQTISCLSSA-N(3aR,7S,7aR)-7-chloro-4,4-diphenyl-perhydroisoindole hydrochloride(3aR,7S,7aR)-7-chloro-4,4-diphenylperhydro-isoindole hydrochloride(3aR, 7S, 7aR)-7-chloro-4,4-diphenylperhydroisoindole hydrochloride
Database identifiers
- PubChem CID
- 67809337
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 352
Related reactions
4 records
Compound notes
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