(4-Butoxyphenoxy)acetyl chloride
Basic information
- CAS
54022-77-4- Standard SMILES
CCCCOc1ccc(OCC(=O)Cl)cc1- InChIKey
VUHUVRUYCQVHDT-UHFFFAOYSA-N- Molecular formula
- C12H15ClO3
- Average molar mass
- 242.7 g/mol
- Monoisotopic mass
- 242.070972
Names & identifiers
- Preferred name
- (4-Butoxyphenoxy)acetyl chloride
- IUPAC
- 2-(4-butoxyphenoxy)acetyl chloride
- English name
- (4-butoxyphenoxy)acetyl chloride
- Molecular formula
- C12H15ClO3
- Molecular weight
- 242.7
Names & synonyms
(4-Butoxyphenoxy)acetyl chloride54022-77-4EINECS 258-926-8DTXSID00202365VUHUVRUYCQVHDT-UHFFFAOYSA-NDB-309970NS00032919Acetyl chloride, 2-(4-butoxyphenoxy)-
Database identifiers
- CAS
54022-77-4- PubChem CID
- 104674
- DTXSID
DTXSID00202365- EC Number
- 258-926-8
- Nikkaji
- J279.562K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 200
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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