Basic information
- CAS
56816-12-7- Standard SMILES
OC1C2CCC(C2)C1Cl- InChIKey
QMEJABBJPKHUJS-UHFFFAOYSA-N- Molecular formula
- C7H11ClO
- Average molar mass
- 146.61 g/mol
- Monoisotopic mass
- 146.0498427
Names & identifiers
- Preferred name
- 3-Chlorobicyclo[2.2.1]heptan-2-ol
- IUPAC
- 3-chlorobicyclo[2.2.1]heptan-2-ol
- English name
- 3-CHLOROBICYCLO[2.2.1]HEPTAN-2-OL
- Molecular formula
- C7H11ClO
- Molecular weight
- 146.61
Names & synonyms
3-Chlorobicyclo[2.2.1]heptan-2-ol56816-12-7Bicyclo[2.2.1]heptan-2-ol, 3-chloro-DTXSID50338365QMEJABBJPKHUJS-UHFFFAOYSA-N3-Chlorobicyclo[2.2.1]heptan-2-ol #endo-2-chloro-exo-3-hydroxybicycloheptane
Database identifiers
- CAS
56816-12-7- PubChem CID
- 548709
- DTXSID
DTXSID50338365- Nikkaji
- J114.421I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 126
Physicochemical properties
- Boiling point
- 242.4 · 242.4±23.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 14.23 · 14.23±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
深圳爱拓化学有限公司0755- 33239182 · [email protected]
APOLLO-NMR[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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