Basic information
- CAS
677290-34-5- Standard SMILES
C[C@@H](C(=O)OCC(O)CO)c1ccc(-c2ccccc2)c(F)c1- InChIKey
QVDNLTYIEYPCOC-KEKZHRQWSA-N- Molecular formula
- C18H19FO4
- Average molar mass
- 318.3 g/mol
Names & identifiers
- Preferred name
- 2,3-dihydroxypropyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
- IUPAC
- 2,3-dihydroxypropyl (2R)-2-(3-fluoro-4-phenylphenyl)propanoate
- English name
- [1,1'-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, 2,3-dihydroxypropyl ester, (αR)-
- Molecular formula
- C18H19FO4
- Molecular weight
- 318.34
Names & synonyms
(αR)-2-Fluoro-α-methyl-[1,1'-Biphenyl]-4-acetic acid 2,3-dihydroxypropyl ester[1,1'-Biphenyl]-4-acetic acid, 2-fluoro-α-methyl-, 2,3-dihydroxypropyl ester, (αR)-
Database identifiers
- CAS
677290-34-5
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 370
Physicochemical properties
- Boiling point
- 475.3 · 475.3±45.0 °C(Predicted)
- Density
- 1.236 · 1.236±0.06 g/cm3(Predicted)
- pka
- 13.12 · 13.12±0.20(Predicted)
Chemistry & industry
Suppliers5 total
宁波振岳医药科技有限公司19817745290 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
湖北扬信医药科技有限公司07143299675 13092790750 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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