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Home > Fluorides > 797048-78-3
797048-78-3 | Benzonitrile, 2,6-difluoro-4-[[2-fluoro-4-(1E)-1-propenylphenyl]ethynyl]-
CAS No: 797048-78-3 Catalog No: AG0050U9 MDL No:
Product Description
Catalog Number:
AG0050U9
Chemical Name:
Benzonitrile, 2,6-difluoro-4-[[2-fluoro-4-(1E)-1-propenylphenyl]ethynyl]-
CAS Number:
797048-78-3
Molecular Formula:
C18H10F3N
Molecular Weight:
297.2739
IUPAC Name:
2,6-difluoro-4-[2-(2-fluoro-4-prop-1-enylphenyl)ethynyl]benzonitrile
InChI:
InChI=1S/C18H10F3N/c1-2-3-12-4-6-14(16(19)8-12)7-5-13-9-17(20)15(11-22)18(21)10-13/h2-4,6,8-10H,1H3
InChI Key:
JRPLPRQQAVQRDI-UHFFFAOYSA-N
SMILES:
C/C=C/c1ccc(c(c1)F)C#Cc1cc(F)c(c(c1)F)C#N
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.077g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.28g/mol
Monoisotopic Mass:
297.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5
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