Basic information
- CAS
10464-71-8- Standard SMILES
O=C1C2CCC(C2)C1Cl- InChIKey
PQRKEKMZLKKQOP-UHFFFAOYSA-N- Molecular formula
- C7H9ClO
- Average molar mass
- 144.6 g/mol
- Monoisotopic mass
- 144.0341926
Overview
See also: rel-(1R,3S,4S)-3-Chlorobicyclo[2.2.1]heptan-2-one (annotation moved to).
Names & identifiers
- Preferred name
- 3-Chlorobicyclo(2.2.1)heptan-2-one
- IUPAC
- 3-chlorobicyclo[2.2.1]heptan-2-one
Names & synonyms
3-Chlorobicyclo[2.2.1]heptan-2-one10464-71-83-Chlorobicyclo(2.2.1)heptan-2-oneDTXSID30909097RefChem:1067623DTXCID1013381663-Chloro-2-norbornanone61914-03-2Bicyclo[2.2.1]heptan-2-one, 3-chloro-, endo-3-Chloronorbornan-2-one2-Norbornanone, 3-chloro-2-chlorobicyclo[2.2.1]heptan-3-one
Show more names
NSC89707EINECS 250-361-5Bicyclo(2.2.1)heptan-2-one, 3-chloro-SCHEMBL1334785PQRKEKMZLKKQOP-UHFFFAOYSA-PQRKEKMZLKKQOP-UHFFFAOYSA-NBicyclo[2.2.1]heptan-2-one,3-chloro-, (1r,3r,4s)-rel-NSC97098
Database identifiers
- CAS
10464-71-8、30860-22-1、61914-03-2- PubChem CID
- 98217
- DTXSID
DTXSID30909097- Nikkaji
- J464.526J
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 155
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…