Basic information
- CAS
1890-40-0- Standard SMILES
ClC1=CC(Cl)C(Cl)C(Cl)C1Cl- InChIKey
MQYAVRUCONBHOR-UHFFFAOYSA-N- Molecular formula
- C6H5Cl5
- Average molar mass
- 254.4 g/mol
- Monoisotopic mass
- 251.883389
Names & identifiers
- Preferred name
- 1,3,4,5,6-Pentachlorocyclohex-1-ene
- IUPAC
- 1,3,4,5,6-pentachlorocyclohexene
Names & synonyms
1890-40-01,3,4,5,6-Pentachlorocyclohex-1-eneDTXSID30940405RefChem:1052481DTXCID3013688721,3,4,5,6-pentachlorocyclohexeneAI3-18546.delta.-PentachlorocyclohexeneSCHEMBL7776513MQYAVRUCONBHOR-UHFFFAOYSA-NCyclohexene, 1,3,4,5,6-pentachloro- (isomer from dehydrochlorination of delta-HCH).delta.-2,3,4,5,6-Pentachlorocyclohexene
Show more names
1,3,4,5,6-Pentachloro-1-cyclohexene-, (3.alpha.,4.beta.,5.alpha.,6.beta.)-Cyclohexene, 1,3,4,5,6-pentachloro-, (3.alpha.,4.beta.,5.alpha.,6.beta.)-
Database identifiers
- CAS
1890-40-0- PubChem CID
- 728
- DTXSID
DTXSID30940405- Nikkaji
- J817.597G
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
Experimental & physicochemical properties
LogP3.61
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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