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Home > Fluorides > 797047-48-4
797047-48-4 | Benzonitrile, 4-[(4-ethenyl-2,6-difluorophenyl)ethynyl]-
CAS No: 797047-48-4 Catalog No: AG0050UM MDL No:
Product Description
Catalog Number:
AG0050UM
Chemical Name:
Benzonitrile, 4-[(4-ethenyl-2,6-difluorophenyl)ethynyl]-
CAS Number:
797047-48-4
Molecular Formula:
C17H9F2N
Molecular Weight:
265.2569
IUPAC Name:
4-[2-(4-ethenyl-2,6-difluorophenyl)ethynyl]benzonitrile
InChI:
InChI=1S/C17H9F2N/c1-2-12-9-16(18)15(17(19)10-12)8-7-13-3-5-14(11-20)6-4-13/h2-6,9-10H,1H2
InChI Key:
PQHDGFKBJICTMI-UHFFFAOYSA-N
SMILES:
C=Cc1cc(F)c(c(c1)F)C#Cc1ccc(cc1)C#N
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.07g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.263g/mol
Monoisotopic Mass:
265.07g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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