Basic information
- CAS
103549-35-5- Standard SMILES
COC(=O)C12CC3CC(CC(Cl)(C3)C1)C2- InChIKey
RJENIKZEKAIMQS-UHFFFAOYSA-N- Molecular formula
- C12H17ClO2
- Average molar mass
- 228.71 g/mol
- Monoisotopic mass
- 228.0917075
Names & identifiers
- Preferred name
- Methyl 3-chloroadamantane-1-carboxylate
- IUPAC
- methyl 3-chloroadamantane-1-carboxylate
Names & synonyms
methyl 3-chloroadamantane-1-carboxylate103549-35-53-Chlorotricyclo(3.3.1.13,7decane-1-carboxylic acid, methyl ester3-Chlorotricyclo[3.3.1.13,7decane-1-carboxylic acid, methyl esterDTXSID50908466AKOS033667123CCG-353645Z19243555
Database identifiers
- CAS
103549-35-5- PubChem CID
- 145396
- DTXSID
DTXSID50908466
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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