Basic information
- CAS
835878-81-4- Standard SMILES
CCOC(=O)Cc1c(F)cc(F)cc1F- InChIKey
YNRBMAMRMQJKBW-UHFFFAOYSA-N- Molecular formula
- C10H9F3O2
- Average molar mass
- 218.17 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(2,4,6-trifluorophenyl)acetate
- IUPAC
- ethyl 2-(2,4,6-trifluorophenyl)acetate
- English name
- ethyl 2-(2,4,6-trifluorophenyl)acetate
- Molecular formula
- C10H9F3O2
- Molecular weight
- 218.17
Names & synonyms
ethyl 2-(2,4,6-trifluorophenyl)acetate835878-81-4(2,4,6-Trifluorophenyl)acetic acid ethyl esterMFCD11555118Benzeneacetic acid, 2,4,6-trifluoro-, ethyl esterSCHEMBL512668YNRBMAMRMQJKBW-UHFFFAOYSA-Nethyl 2,4,6-trifluorophenylacetateethyl2-(2,4,6-trifluorophenyl)acetateCS-0361368F396110
Database identifiers
- CAS
835878-81-4
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Boiling point
- 216.1 · 216.1±35.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers4 total
阳谷荣科商贸有限公司15863541132 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
山东煜昌药业有限公司531-87153728 13805401165 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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