Basic information
- CAS
147201-81-8- Standard SMILES
COC(=O)[C@H]1CCCC[C@H]1C(=O)Cl- InChIKey
OIJFGMIBHPAXAF-RQJHMYQMSA-N- Molecular formula
- C9H13ClO3
- Average molar mass
- 204.65 g/mol
Names & identifiers
- Preferred name
- Methyl (1S,2R)-2-carbonochloridoylcyclohexane-1-carboxylate
- IUPAC
- cis-methyl (1S,2R)-2-carbonochloridoylcyclohexane-1-carboxylate
- English name
- Cyclohexanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1S-cis)- (9CI)
- Molecular formula
- C9H13ClO3
- Molecular weight
- 204.65
Names & synonyms
147201-81-8Methyl (1S,2R)-2-carbonochloridoylcyclohexane-1-carboxylateCyclohexanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1S-cis)- (9CI)Cyclohexanecarboxylic acid, 2-(chlorocarbonyl)-, methyl ester, (1S,2R)-
Database identifiers
- CAS
147201-81-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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