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Home > Fluorides > 797048-25-0
797048-25-0 | Benzonitrile, 4-[[2,6-difluoro-4-(4-pentenyl)phenyl]ethynyl]-2-fluoro-
CAS No: 797048-25-0 Catalog No: AG005IM0 MDL No:
Product Description
Catalog Number:
AG005IM0
Chemical Name:
Benzonitrile, 4-[[2,6-difluoro-4-(4-pentenyl)phenyl]ethynyl]-2-fluoro-
CAS Number:
797048-25-0
Molecular Formula:
C20H14F3N
Molecular Weight:
325.3271
IUPAC Name:
4-[2-(2,6-difluoro-4-pent-4-enylphenyl)ethynyl]-2-fluorobenzonitrile
InChI:
InChI=1S/C20H14F3N/c1-2-3-4-5-15-11-19(22)17(20(23)12-15)9-7-14-6-8-16(13-24)18(21)10-14/h2,6,8,10-12H,1,3-5H2
InChI Key:
FOLZDXKPMKASHH-UHFFFAOYSA-N
SMILES:
C=CCCCc1cc(F)c(c(c1)F)C#Cc1ccc(c(c1)F)C#N
Properties
Complexity:
525
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:
6
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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