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Home > Fluorides > 797047-49-5
797047-49-5 | Benzene, 2-[[4-(difluoromethyl)phenyl]ethynyl]-5-ethenyl-1,3-difluoro-
CAS No: 797047-49-5 Catalog No: AG005IM7 MDL No:
Product Description
Catalog Number:
AG005IM7
Chemical Name:
Benzene, 2-[[4-(difluoromethyl)phenyl]ethynyl]-5-ethenyl-1,3-difluoro-
CAS Number:
797047-49-5
Molecular Formula:
C17H10F4
Molecular Weight:
290.2549
IUPAC Name:
2-[2-[4-(difluoromethyl)phenyl]ethynyl]-5-ethenyl-1,3-difluorobenzene
InChI:
InChI=1S/C17H10F4/c1-2-11-9-15(18)14(16(19)10-11)8-5-12-3-6-13(7-4-12)17(20)21/h2-4,6-7,9-10,17H,1H2
InChI Key:
UQIOBCSJRNIBML-UHFFFAOYSA-N
SMILES:
C=Cc1cc(F)c(c(c1)F)C#Cc1ccc(cc1)C(F)F
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.072g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.261g/mol
Monoisotopic Mass:
290.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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