Basic information
- CAS
5435-60-9- Standard SMILES
CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1Cl- InChIKey
RHZFLXLMXCNOHX-UHFFFAOYSA-N- Molecular formula
- C8H4Cl4O2
- Average molar mass
- 273.9 g/mol
- Monoisotopic mass
- 271.89654
Names & identifiers
- Preferred name
- 2,3,4,6-Tetrachlorophenyl acetate
- IUPAC
- (2,3,4,6-tetrachlorophenyl) acetate
- English name
- 2,3,4,6-Tetrachlorophenol acetate
- Molecular formula
- C8H4Cl4O2
- Molecular weight
- 273.93
Names & synonyms
2,3,4,6-Tetrachlorophenyl acetate5435-60-9(2,3,4,6-tetrachlorophenyl) acetatePhenol, 2,3,4,6-tetrachloro-, acetate3QGR7HT9KAAI3-17598NSC-21473Acetic acid, 2,3,4,6-tetrachlorophenyl esterNSC21473NSC 21473UNII-3QGR7HT9KASCHEMBL13814014
Show more names
2,3,4,6-Tetrachlorophenol acetatePhenol, 2,3,4,6-tetrachloro-, 1-acetate2,3,4,6-Tetrachlorophenol acetate 10 μg/mL in Isooctane
SCHEMBL31612525DTXSID00202729RHZFLXLMXCNOHX-UHFFFAOYSA-N2,3,4,6-Tetrachlorphenol-acetatQ633992672,3,4,6-Tetrachlorophenol acetate 10 microg/mL in Isooctane
Database identifiers
- CAS
5435-60-9- PubChem CID
- 95159
- DTXSID
DTXSID00202729- UNII
- 3QGR7HT9KA
- Nikkaji
- J46.800B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- FDA UNII
- 3 QGR7HT9KA · 3QGR7HT9KA
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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