3,4-Dichlorobicyclo[3.2.1]oct-2-ene
Basic information
- CAS
57615-42-6- Standard SMILES
ClC1=CC2CCC(C2)C1Cl- InChIKey
RQQXREWCMYDFMH-UHFFFAOYSA-N- Molecular formula
- C8H10Cl2
- Average molar mass
- 177.07 g/mol
- Monoisotopic mass
- 176.0159557
Names & identifiers
- Preferred name
- 3,4-Dichlorobicyclo[3.2.1]oct-2-ene
- IUPAC
- 3,4-dichlorobicyclo[3.2.1]oct-2-ene
- English name
- 3,4-Dichlorobicyclo(3.2.1)oct-2-ene
- Molecular formula
- C8H10Cl2
- Molecular weight
- 177.07
Names & synonyms
3,4-Dichlorobicyclo[3.2.1]oct-2-ene57615-42-63,4-Dichlorobicyclo(3.2.1)oct-2-eneDTXSID70302063RefChem:270864DTXCID20253197RQQXREWCMYDFMH-UHFFFAOYSA-NNSC148271SCHEMBL6914955AKOS024342542NSC-1482713,4-dichlorobicyclo[3,2,1]-2-octene
Show more names
Bicyclo[3.2.1]oct-2-ene, 3,4-dichloro-3,4-DICHLOROBICYCLO(3.2.1)OCT-2-ENE, MIX OF EXO, ENDO (80/20)
DB-304084Q46340573,4-DICHLOROBICYCLO(3.2.1)OCT-2-ENE, MIX OF EXO, ENDO (80/20)
Database identifiers
- CAS
57615-42-6- PubChem CID
- 287989
- DTXSID
DTXSID70302063- Nikkaji
- J578.831E
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 174
Chemistry & industry
Applications
Uses3,4-Dichlorobicyclo[3.2.1]oct-2-ene is an intermediate in the synthesis of 3-Bicyclo[3.2.1]octanone (B382840), a reactant used in the synthesis of polycyclic acid derivatives as selective inhibitors of human 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD-1).
Upstream & downstream products
Downstream products
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Compound notes
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