Cinnoline,4-[2-(4-f...

Cinnoline,4-[2-(4-fluorophenyl)ethenyl]- 5387-94-0

Cinnoline,4-[2-(4-fluorophenyl)ethenyl]- 5387-94-0

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Cinnoline,4-[2-(4-fluorophenyl)ethenyl]- 5387-94-0 C16H11 F N2

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
Cinnoline,4-[2-(4-fluorophenyl)ethenyl]-
【CAS Registry number】
5387-94-0
【Synonyms】
Cinnoline,4-(p-fluorostyryl)- (7CI,8CI)
NSC 66105
【Molecular Formula】
C16H11 F N2 (Products with the same molecular formula)
【Molecular Weight】
250.2703
【Inchi】
InChI=1/C16H11FN2/c17-14-9-6-12(7-10-14)5-8-13-11-18-19-16-4-2-1-3-15(13)16/h1-11H
【Canonical SMILES】
C1=CC=C2C(=C1)C(=CN=N2)C=CC3=CC=C(C=C3)F
Chemical and Physical Properties
【Density】
1.267g/cm3
【Boiling Point】
415.5°Cat760mmHg
【Refractive Index】
1.716
【Flash Point】
205.1°C
【Computed Properties】
Molecular Weight:250.270343 [g/mol]
Molecular Formula:C16H11FN2
XLogP3-AA:3.6
H-Bond Donor:0
H-Bond Acceptor:3
Rotatable Bond Count:2
Exact Mass:250.090627
MonoIsotopic Mass:250.090627
Topological Polar Surface Area:25.8
Heavy Atom Count:19
Formal Charge:0
Complexity:310
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Ring Count:3
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:2

 

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