4-(trans-4-(Propoxymethyl)cyclohexyl) benzoyl chloride
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Basic information
- Standard SMILES
CCCOCC1CCC(c2ccc(C(=O)Cl)cc2)CC1- InChIKey
JLHSAZYUGYFLQO-UHFFFAOYSA-N- Molecular formula
- C17H23ClO2
- Average molar mass
- 294.8 g/mol
Names & identifiers
- Preferred name
- 4-(trans-4-(Propoxymethyl)cyclohexyl) benzoyl chloride
- IUPAC
- 4-[4-(propoxymethyl)cyclohexyl]benzoyl chloride
Names & synonyms
SCHEMBL8051858SCHEMBL8051861JLHSAZYUGYFLQO-HDJSIYSDSA-N4-(trans-4-(propoxymethyl)cyclohexyl) benzoyl chloride
Database identifiers
- PubChem CID
- 22374136
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Related reactions
2 records
Compound notes
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