(+)-4-Hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-1-cyclopentene-1-carboxaldehyde
Basic information
- CAS
122006-32-0- Standard SMILES
O=CC1=C(C(Cl)(Cl)Cl)C(Cl)(Cl)C(O)C1(Cl)Cl- InChIKey
DXCKXLJBDSYGTI-UHFFFAOYSA-N- Molecular formula
- C7H3Cl7O2
- Average molar mass
- 367.3 g/mol
- Monoisotopic mass
- 363.795273
Overview
See also: KS 504e (annotation moved to).
Names & identifiers
- Preferred name
- (+)-4-Hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-1-cyclopentene-1-carboxaldehyde
- IUPAC
- 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopentene-1-carbaldehyde
- English name
- KS 504e
- Molecular formula
- C7H3Cl7O2
- Molecular weight
- 367.27
Names & synonyms
KS 504e122006-32-0KS-504eBRN 4321107(+)-4-Hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-1-cyclopentene-1-carboxaldehyde3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopentene-1-carbaldehydeDTXSID909240491-Cyclopentene-1-carboxaldehyde, 3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)-, (+)-1-Cyclopentene-1-carboxaldehyde, 4-hydroxy-3,3,5,5-tetrachloro-2-(trichloromethyl)-, (+)-3,3,5,5-tetrachloro-4-hydroxy-2-(trichloromethyl)cyclopent-1-ene-1-carbaldehyde(+)-3,3,5,5-Tetrachloro-4-hydroxy-2-(trichloromethyl)-1-cyclopentene-1-carbaldehyde
Database identifiers
- CAS
122006-32-0- PubChem CID
- 129559
- DTXSID
DTXSID90924049- Nikkaji
- J327.359H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 354
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Related reactions
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Compound notes
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