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Home > Fluorides > 797047-89-3
797047-89-3 | Benzonitrile, 4-[(4-ethenyl-2,6-difluorophenyl)ethynyl]-2-fluoro-
CAS No: 797047-89-3 Catalog No: AG005IM3 MDL No:
Product Description
Catalog Number:
AG005IM3
Chemical Name:
Benzonitrile, 4-[(4-ethenyl-2,6-difluorophenyl)ethynyl]-2-fluoro-
CAS Number:
797047-89-3
Molecular Formula:
C17H8F3N
Molecular Weight:
283.2473
IUPAC Name:
4-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]-2-fluorobenzonitrile
InChI:
InChI=1S/C17H8F3N/c1-2-11-7-16(19)14(17(20)8-11)6-4-12-3-5-13(10-21)15(18)9-12/h2-3,5,7-9H,1H2
InChI Key:
MJUNZOOWEYUPDO-UHFFFAOYSA-N
SMILES:
C=Cc1cc(F)c(c(c1)F)C#Cc1ccc(c(c1)F)C#N
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.061g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.253g/mol
Monoisotopic Mass:
283.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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