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Home > Fluorides > 797047-72-4
797047-72-4 | Benzonitrile, 4-[[4-(3-butenyl)-2,6-difluorophenyl]ethynyl]-
CAS No: 797047-72-4 Catalog No: AG005IM4 MDL No:
Product Description
Catalog Number:
AG005IM4
Chemical Name:
Benzonitrile, 4-[[4-(3-butenyl)-2,6-difluorophenyl]ethynyl]-
CAS Number:
797047-72-4
Molecular Formula:
C19H13F2N
Molecular Weight:
293.3100
IUPAC Name:
4-[2-(4-but-3-enyl-2,6-difluorophenyl)ethynyl]benzonitrile
InChI:
InChI=1S/C19H13F2N/c1-2-3-4-16-11-18(20)17(19(21)12-16)10-9-14-5-7-15(13-22)8-6-14/h2,5-8,11-12H,1,3-4H2
InChI Key:
ZPBMGIZVVYJGBI-UHFFFAOYSA-N
SMILES:
C=CCCc1cc(F)c(c(c1)F)C#Cc1ccc(cc1)C#N
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.317g/mol
Monoisotopic Mass:
293.102g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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