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Home > Fluorides > 797047-71-3
797047-71-3 | Benzene, 5-(3-butenyl)-1,3-difluoro-2-[(4-fluorophenyl)ethynyl]-
CAS No: 797047-71-3 Catalog No: AG0056D2 MDL No:
Product Description
Catalog Number:
AG0056D2
Chemical Name:
Benzene, 5-(3-butenyl)-1,3-difluoro-2-[(4-fluorophenyl)ethynyl]-
CAS Number:
797047-71-3
Molecular Formula:
C18H13F3
Molecular Weight:
286.2910
IUPAC Name:
5-but-3-enyl-1,3-difluoro-2-[2-(4-fluorophenyl)ethynyl]benzene
InChI:
InChI=1S/C18H13F3/c1-2-3-4-14-11-17(20)16(18(21)12-14)10-7-13-5-8-15(19)9-6-13/h2,5-6,8-9,11-12H,1,3-4H2
InChI Key:
YCVSIWXNBUNXKB-UHFFFAOYSA-N
SMILES:
C=CCCc1cc(F)c(c(c1)F)C#Cc1ccc(cc1)F
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.297g/mol
Monoisotopic Mass:
286.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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