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Home > Fluorides > 797047-88-2
797047-88-2 | Benzene, 2-[(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluoro-
CAS No: 797047-88-2 Catalog No: AG0056D0 MDL No:
Product Description
Catalog Number:
AG0056D0
Chemical Name:
Benzene, 2-[(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluoro-
CAS Number:
797047-88-2
Molecular Formula:
C16H8F4
Molecular Weight:
276.2283
IUPAC Name:
2-[2-(3,4-difluorophenyl)ethynyl]-5-ethenyl-1,3-difluorobenzene
InChI:
InChI=1S/C16H8F4/c1-2-10-7-14(18)12(15(19)8-10)5-3-11-4-6-13(17)16(20)9-11/h2,4,6-9H,1H2
InChI Key:
BMQXKNQWECNANJ-UHFFFAOYSA-N
SMILES:
C=Cc1cc(F)c(c(c1)F)C#Cc1ccc(c(c1)F)F
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.056g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.234g/mol
Monoisotopic Mass:
276.056g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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