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Home > Fluorides > 797048-90-9
797048-90-9 | Benzonitrile, 2,6-difluoro-4-[[2-fluoro-4-(1E)-1-pentenylphenyl]ethynyl]-
CAS No: 797048-90-9 Catalog No: AG0050U8 MDL No:
Product Description
Catalog Number:
AG0050U8
Chemical Name:
Benzonitrile, 2,6-difluoro-4-[[2-fluoro-4-(1E)-1-pentenylphenyl]ethynyl]-
CAS Number:
797048-90-9
Molecular Formula:
C20H14F3N
Molecular Weight:
325.3271
IUPAC Name:
2,6-difluoro-4-[2-(2-fluoro-4-pent-1-enylphenyl)ethynyl]benzonitrile
InChI:
InChI=1S/C20H14F3N/c1-2-3-4-5-14-6-8-16(18(21)10-14)9-7-15-11-19(22)17(13-24)20(23)12-15/h4-6,8,10-12H,2-3H2,1H3
InChI Key:
XTSJDJCTVRRCPC-UHFFFAOYSA-N
SMILES:
CCC/C=C/c1ccc(c(c1)F)C#Cc1cc(F)c(c(c1)F)C#N
Properties
Complexity:
537
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.108g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.334g/mol
Monoisotopic Mass:
325.108g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.9
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