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Home > Fluorides > 797048-13-6
797048-13-6 | Benzonitrile, 4-[[4-(3-butenyl)-2,6-difluorophenyl]ethynyl]-2-fluoro-
CAS No: 797048-13-6 Catalog No: AG0056CX MDL No:
Product Description
Catalog Number:
AG0056CX
Chemical Name:
Benzonitrile, 4-[[4-(3-butenyl)-2,6-difluorophenyl]ethynyl]-2-fluoro-
CAS Number:
797048-13-6
Molecular Formula:
C19H12F3N
Molecular Weight:
311.3005
IUPAC Name:
4-[2-(4-but-3-enyl-2,6-difluorophenyl)ethynyl]-2-fluorobenzonitrile
InChI:
InChI=1S/C19H12F3N/c1-2-3-4-14-10-18(21)16(19(22)11-14)8-6-13-5-7-15(12-23)17(20)9-13/h2,5,7,9-11H,1,3-4H2
InChI Key:
YTIVUQXPKLFCMM-UHFFFAOYSA-N
SMILES:
C=CCCc1cc(F)c(c(c1)F)C#Cc1ccc(c(c1)F)C#N
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.092g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
311.307g/mol
Monoisotopic Mass:
311.092g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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