Ethyl α-cyano-4-fluorocinnamate - CAS 18861-57-9
Catalog: |
BB014531 |
Product Name: |
Ethyl α-cyano-4-fluorocinnamate |
CAS: |
18861-57-9 |
Synonyms: |
ethyl (E)-2-cyano-3-(4-fluorophenyl)prop-2-enoate |
IUPAC Name: | ethyl (E)-2-cyano-3-(4-fluorophenyl)prop-2-enoate |
Description: | Ethyl α-cyano-4-fluorocinnamate (CAS# 18861-57-9 ) is a useful research chemical. |
Molecular Weight: | 219.21 |
Molecular Formula: | C12H10FNO2 |
Canonical SMILES: | CCOC(=O)C(=CC1=CC=C(C=C1)F)C#N |
InChI: | InChI=1S/C12H10FNO2/c1-2-16-12(15)10(8-14)7-9-3-5-11(13)6-4-9/h3-7H,2H2,1H3/b10-7+ |
InChI Key: | OSTPLWBGNXWIBG-JXMROGBWSA-N |
Boiling Point: | 330.7 °C at 760 mmHg |
Density: | 1.212 g/cm3 |
MDL: | MFCD00176412 |
LogP: | 2.29578 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-3553097-A1 | Copolymer and optical film using same | 20161207 |
US-2020095358-A1 | Copolymer and optical film using same | 20161207 |
EP-1932833-A1 | Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same | 20051007 |
US-2009306396-A1 | Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same | 20051007 |
US-7947707-B2 | Nitrogenated heterocyclic compound and pharmaceutical composition comprising the same | 20051007 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 219.06955672 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.06955672 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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