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Home > Fluorides > 797048-83-0
797048-83-0 | Benzene, 5-[[4-(1E)-1-butenyl-2-fluorophenyl]ethynyl]-1,2,3-trifluoro-
CAS No: 797048-83-0 Catalog No: AG0056CU MDL No:
Product Description
Catalog Number:
AG0056CU
Chemical Name:
Benzene, 5-[[4-(1E)-1-butenyl-2-fluorophenyl]ethynyl]-1,2,3-trifluoro-
CAS Number:
797048-83-0
Molecular Formula:
C18H12F4
Molecular Weight:
304.2815
IUPAC Name:
5-[2-(4-but-1-enyl-2-fluorophenyl)ethynyl]-1,2,3-trifluorobenzene
InChI:
InChI=1S/C18H12F4/c1-2-3-4-12-5-7-14(15(19)9-12)8-6-13-10-16(20)18(22)17(21)11-13/h3-5,7,9-11H,2H2,1H3
InChI Key:
HNTWLSIYCDOJMN-UHFFFAOYSA-N
SMILES:
CC/C=C/c1ccc(c(c1)F)C#Cc1cc(F)c(c(c1)F)F
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.288g/mol
Monoisotopic Mass:
304.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.8
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