Basic information
- CAS
85099-15-6- Standard SMILES
CC1(C)C2CCC(C2)C1CCC(=O)Cl- InChIKey
KWGLJQORJFWZQV-UHFFFAOYSA-N- Molecular formula
- C12H19ClO
- Average molar mass
- 214.73 g/mol
- Monoisotopic mass
- 214.1124429
Names & identifiers
- Preferred name
- 3,3-Dimethylbicyclo(2.2.1)heptane-2-propionyl chloride
- IUPAC
- 3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)propanoyl chloride
- English name
- 3,3-dimethylbicyclo[2.2.1]heptane-2-propionyl chloride
- Molecular formula
- C12H21ClO
- Molecular weight
- 216.74754
Names & synonyms
EINECS 285-469-185099-15-63,3-Dimethylbicyclo(2.2.1)heptane-2-propionyl chlorideKWGLJQORJFWZQV-UHFFFAOYSA-NDTXSID401005485NS000584323-(3,3-Dimethylbicyclo[2.2.1]heptan-2-yl)propanoyl chloride3,3-dimethylbicyclo[2.2.1]heptane-2-propionyl chloride3,3-Dimethylbicyclo[2.2.1]heptane-2-propanoic acid chloride
Database identifiers
- CAS
85099-15-6- PubChem CID
- 14201280
- DTXSID
DTXSID401005485- EC Number
- 285-469-1
- Nikkaji
- J309.714E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 247
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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