Basic information
- CAS
49576-67-2- Standard SMILES
CC1CCC(C)(C(=O)Cl)CC1- InChIKey
BBEICHXABALGRY-UHFFFAOYSA-N- Molecular formula
- C9H15ClO
- Average molar mass
- 174.67 g/mol
- Monoisotopic mass
- 174.08114278
Names & identifiers
- Preferred name
- 1,4-Dimethylcyclohexane-1-carbonyl chloride
- IUPAC
- 1,4-dimethylcyclohexane-1-carbonyl chloride
- English name
- Cyclohexanecarbonyl chloride, 1,4-dimethyl- (9CI)
- Molecular formula
- C9H15ClO
- Molecular weight
- 174.67
Names & synonyms
49576-67-21,4-Dimethylcyclohexane-1-carbonyl chlorideSCHEMBL5729318DTXSID10621285BBEICHXABALGRY-UHFFFAOYSA-N1,4-dimethylcyclohexanecarbonyl chlorideCyclohexanecarbonyl chloride, 1,4-dimethyl-Cyclohexanecarbonyl chloride, 1,4-dimethyl- (9CI)
Database identifiers
- CAS
49576-67-2- PubChem CID
- 21991271
- DTXSID
DTXSID10621285
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 201.1 · 201.1±9.0 °C(Predicted)
- Density
- 1.021 · 1.021±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
2 records
Compound notes
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