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Home > Fluorides > 797048-31-8
797048-31-8 | Benzonitrile, 4-[[4-(3-butenyl)-2,6-difluorophenyl]ethynyl]-2,6-difluoro-
CAS No: 797048-31-8 Catalog No: AG0056CW MDL No:
Product Description
Catalog Number:
AG0056CW
Chemical Name:
Benzonitrile, 4-[[4-(3-butenyl)-2,6-difluorophenyl]ethynyl]-2,6-difluoro-
CAS Number:
797048-31-8
Molecular Formula:
C19H11F4N
Molecular Weight:
329.2910
IUPAC Name:
4-[2-(4-but-3-enyl-2,6-difluorophenyl)ethynyl]-2,6-difluorobenzonitrile
InChI:
InChI=1S/C19H11F4N/c1-2-3-4-12-7-16(20)14(17(21)8-12)6-5-13-9-18(22)15(11-24)19(23)10-13/h2,7-10H,1,3-4H2
InChI Key:
ZHEJRCXXEJLZLZ-UHFFFAOYSA-N
SMILES:
C=CCCc1cc(F)c(c(c1)F)C#Cc1cc(F)c(c(c1)F)C#N
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.083g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.298g/mol
Monoisotopic Mass:
329.083g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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