4-(5-Pentyl-2-pyridinyl)benzoyl chloride
Basic information
- CAS
111647-50-8- Standard SMILES
CCCCCc1ccc(-c2ccc(C(=O)Cl)cc2)nc1- InChIKey
FUHFIQHPJZYTDT-UHFFFAOYSA-N- Molecular formula
- C17H18ClNO
- Average molar mass
- 287.8 g/mol
- Monoisotopic mass
- 287.1076919
Names & identifiers
- Preferred name
- 4-(5-Pentyl-2-pyridinyl)benzoyl chloride
- IUPAC
- 4-(5-pentyl-2-pyridinyl)benzoyl chloride
Names & synonyms
DTXSID9012735084-(5-Pentyl-2-pyridinyl)benzoyl chloride4-(5-Pentylpyridin-2-yl)benzoyl chloride111647-50-8
Database identifiers
- CAS
111647-50-8- PubChem CID
- 85534971
- DTXSID
DTXSID901273508
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 299
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Related reactions
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Compound notes
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