Cycloheptane, 1,4-dichloro-, cis-
Completing data — refresh the page later to see the latest
Basic information
- CAS
32718-95-9- Standard SMILES
Cl[C@@H]1CCC[C@H](Cl)CC1- InChIKey
QQFAMJSRDUOBQG-KNVOCYPGSA-N- Molecular formula
- C7H12Cl2
- Average molar mass
- 167.07 g/mol
- Monoisotopic mass
- 166.0316058
Names & identifiers
- Preferred name
- Cycloheptane, 1,4-dichloro-, cis-
- IUPAC
- cis-(1R,4S)-1,4-dichlorocycloheptane
- English name
- 1α,4α-Dichlorocycloheptane
- Molecular formula
- C7H12Cl2
- Molecular weight
- 167.08
Names & synonyms
Cycloheptane, 1,4-dichloro-, cis-1,4-Dichlorocycloheptane #QQFAMJSRDUOBQG-KNVOCYPGSA-N1α,4α-DichlorocycloheptaneCycloheptane, 1,4-dichloro-, cis- (8CI)
Database identifiers
- CAS
32718-95-9- PubChem CID
- 22215271
- Nikkaji
- J132.960J
Properties
Computed structural propertiesFilling in
- XLogP
- 3.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 73
Physicochemical properties
- Boiling point
- 230.8 · 230.8±15.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…