4-(Butoxymethyl)benzoyl chloride
Basic information
- CAS
89326-64-7- Standard SMILES
CCCCOCc1ccc(C(=O)Cl)cc1- InChIKey
GOMSYKAATAQBRT-UHFFFAOYSA-N- Molecular formula
- C12H15ClO2
- Average molar mass
- 226.7 g/mol
- Monoisotopic mass
- 226.0760574
Names & identifiers
- Preferred name
- 4-(Butoxymethyl)benzoyl chloride
- IUPAC
- 4-(butoxymethyl)benzoyl chloride
Names & synonyms
4-(butoxymethyl)benzoyl chlorideBenzoyl chloride, 4-(butoxymethyl)-89326-64-7SCHEMBL8062502DTXSID50596423GOMSYKAATAQBRT-UHFFFAOYSA-N
Database identifiers
- CAS
89326-64-7- PubChem CID
- 18913751
- DTXSID
DTXSID50596423
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
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Related reactions
2 records
Compound notes
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