Basic information
- CAS
198554-07-3- Standard SMILES
COC(=O)C(C#N)=Cc1ccccc1F- InChIKey
HCWKJLDXLZPUNT-UHFFFAOYSA-N- Molecular formula
- C11H8FNO2
- Average molar mass
- 205.18 g/mol
- Monoisotopic mass
- 205.05390666
Names & identifiers
- Preferred name
- Methyl 2-cyano-3-(2-fluorophenyl)acrylate
- IUPAC
- methyl 2-cyano-3-(2-fluorophenyl)prop-2-enoate
- English name
- 2-Propenoic acid, 2-cyano-3-(2-fluorophenyl)-, methyl ester
- Molecular formula
- C11H8FNO2
- Molecular weight
- 205.19
Names & synonyms
methyl 2-cyano-3-(2-fluorophenyl)acrylate198554-07-3DTXSID50405147RefChem:354218DTXCID70356001Methyl 2-cyano-3-(2-fluorophenyl)prop-2-enoateSCHEMBL7021270HCWKJLDXLZPUNT-UHFFFAOYSA-NAKOS017082939methyl (Z)-2-cyano-3-(2-fluorophenyl)acrylateMethyl 2-cyano-3-(2-fluorophenyl)-2-propenoate2-Propenoic acid, 2-cyano-3-(2-fluorophenyl)-, methyl ester
Database identifiers
- CAS
198554-07-3- PubChem CID
- 4641997
- DTXSID
DTXSID50405147- EC Number
- 126-415-8
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Boiling point
- 316.8 · 316.8±32.0 °C(Predicted)
- Density
- 1.248 · 1.248±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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