Basic information
- CAS
182678-46-2- Standard SMILES
CC(=O)c1ccc(OCF)cc1- InChIKey
QVLQHPQUWIFSLE-UHFFFAOYSA-N- Molecular formula
- C9H9FO2
- Average molar mass
- 168.16 g/mol
- Monoisotopic mass
- 168.05865769
Names & identifiers
- Preferred name
- 1-[4-(Fluoromethoxy)phenyl]ethanone
- IUPAC
- 1-[4-(fluoromethoxy)phenyl]ethanone
- English name
- Ethanone, 1-[4-(fluoromethoxy)phenyl]- (9CI)
- Molecular formula
- C9H9FO2
- Molecular weight
- 168.16
Names & synonyms
182678-46-21-[4-(fluoromethoxy)phenyl]ethanone1-(4-(Fluoromethoxy)phenyl)ethan-1-oneEthanone, 1-[4-(fluoromethoxy)phenyl]- (9CI)1-[4-(fluoromethoxy)phenyl]ethan-1-oneSCHEMBL1863584DTXSID20450381QVLQHPQUWIFSLE-UHFFFAOYSA-N1-(4-fluoromethoxy-phenyl)-ethanoneAKOS015889933Ethanone, 1-[4-(fluoromethoxy)phenyl]-
Database identifiers
- CAS
182678-46-2- PubChem CID
- 10975868
- DTXSID
DTXSID20450381
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Boiling point
- 269.7 · 269.7±15.0 °C(Predicted)
- Density
- 1.117 · 1.117±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers5 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
Related reactions
2 records
Compound notes
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