Basic information
- CAS
6283-85-8- Standard SMILES
CC1(C)C2CCC1(CC(=O)O)C(Cl)C2- InChIKey
OXJNTOQBZAXOPC-UHFFFAOYSA-N- Molecular formula
- C11H17ClO2
- Average molar mass
- 216.7 g/mol
- Monoisotopic mass
- 216.0917075
Names & identifiers
- Preferred name
- (2-Chloro-7,7-dimethylbicyclo[2.2.1]hept-1-yl)acetic acid
- IUPAC
- 2-(2-chloro-7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid
Names & synonyms
NSC77346283-85-8(2-chloro-7,7-dimethylbicyclo[2.2.1]hept-1-yl)acetic acidNSC-7734CHEMBL2006902DTXSID702784911-Apobornaneacetic acid, 2-chloro-NCI60_041704Bicyclo[2.2.1]heptane-1-acetic acid,7-dimethyl-(2-Chloro-7,7-dimethylbicyclo[2.2.1]heptan-1-yl)acetic acid
Database identifiers
- CAS
6283-85-8- PubChem CID
- 222202
- DTXSID
DTXSID70278491- ChEMBL
CHEMBL2006902
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 274
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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