(3-Chloro-4-fluorophenoxy)acetyl chloride
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Basic information
- CAS
826990-47-0- Standard SMILES
O=C(Cl)COc1ccc(F)c(Cl)c1- InChIKey
KVZHBLKETNAFKU-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2FO2
- Average molar mass
- 223.02 g/mol
- Monoisotopic mass
- 221.9650629
Names & identifiers
- Preferred name
- (3-Chloro-4-fluorophenoxy)acetyl chloride
- IUPAC
- 2-(3-chloro-4-fluorophenoxy)acetyl chloride
- English name
- (3-chloro-4-fluorophenoxy)acetyl chloride
- Molecular formula
- C8H5Cl2FO2
- Molecular weight
- 223.03
Names & synonyms
826990-47-0(3-chloro-4-fluorophenoxy)acetyl chloride2-(3-chloro-4-fluorophenoxy)acetyl chlorideAcetyl chloride, (3-chloro-4-fluorophenoxy)-MFCD09673332(3-Chloro-4-fluoro-phenoxy)-acetyl chloride3-chloro-4-fluoro-phenoxyacetyl chlorideSCHEMBL2076719DTXSID40586217KVZHBLKETNAFKU-UHFFFAOYSA-NALBB-011197BBL013919
Show more names
Acetyl chloride, 2-(3-chloro-4-fluorophenoxy)-2-(3-chloro-4-fluoro-phenoxy)ethanoyl chloride
STL195416AKOS000104375VS-04044DB-3045362-(3-chloro-4-fluoro-phenoxy)acetyl chlorideH26221
Database identifiers
- CAS
826990-47-0- PubChem CID
- 16495643
- DTXSID
DTXSID40586217
Properties
Computed structural propertiesFilling in
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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