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Basic information
- CAS
877397-67-6- Standard SMILES
CC(=O)OC(C)c1c(Cl)ccc(F)c1Cl- InChIKey
IZHRGJAQMNPACR-UHFFFAOYSA-N- Molecular formula
- C10H9Cl2FO2
- Average molar mass
- 251.08 g/mol
- Monoisotopic mass
- 249.9963631
Names & identifiers
- Preferred name
- 1-(2,6-Dichloro-3-fluorophenyl)ethyl acetate
- IUPAC
- 1-(2,6-dichloro-3-fluorophenyl)ethyl acetate
Names & synonyms
1-(2,6-dichloro-3-fluorophenyl)ethyl acetate877397-67-6SCHEMBL1582077IZHRGJAQMNPACR-UHFFFAOYSA-NDTXSID5011894061-(2,6-dichloro-3-fluorophenyl)ethylacetate1-(2.6-dichloro-3-fluorophenyl)ethyl acetateBenzenemethanol, 2,6-dichloro-3-fluoro-I+/--methyl-, 1-acetate
Database identifiers
- CAS
877397-67-6- PubChem CID
- 16655950
- DTXSID
DTXSID501189406- Nikkaji
- J2.892.171C
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Boiling point
- 269.5 · 269.5±35.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers2 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Related reactions
8 records
Compound notes
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