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Home > Fluorides > 797048-06-7
797048-06-7 | Benzene, 2-[(3,4-difluorophenyl)ethynyl]-1,3-difluoro-5-(1E)-1-pentenyl-
CAS No: 797048-06-7 Catalog No: AG005IM1 MDL No:
Product Description
Catalog Number:
AG005IM1
Chemical Name:
Benzene, 2-[(3,4-difluorophenyl)ethynyl]-1,3-difluoro-5-(1E)-1-pentenyl-
CAS Number:
797048-06-7
Molecular Formula:
C19H14F4
Molecular Weight:
318.3081
IUPAC Name:
2-[2-(3,4-difluorophenyl)ethynyl]-1,3-difluoro-5-pent-1-enylbenzene
InChI:
InChI=1S/C19H14F4/c1-2-3-4-5-14-11-17(21)15(18(22)12-14)8-6-13-7-9-16(20)19(23)10-13/h4-5,7,9-12H,2-3H2,1H3
InChI Key:
NHRHYDOAFQOVOD-UHFFFAOYSA-N
SMILES:
CCC/C=C/c1cc(F)c(c(c1)F)C#Cc1ccc(c(c1)F)F
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.103g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.315g/mol
Monoisotopic Mass:
318.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6.3
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