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Home > Fluorides > 823227-82-3
823227-82-3 | Benzonitrile, 2-[[2-[[3-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]-
CAS No: 823227-82-3 Catalog No: AG00546M MDL No:
Product Description
Catalog Number:
AG00546M
Chemical Name:
Benzonitrile, 2-[[2-[[3-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]-
CAS Number:
823227-82-3
Molecular Formula:
C24H12F3N
Molecular Weight:
371.3540
IUPAC Name:
2-[2-[2-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]ethynyl]benzonitrile
InChI:
InChI=1S/C24H12F3N/c25-24(26,27)23-11-5-6-18(16-23)12-13-19-7-1-2-8-20(19)14-15-21-9-3-4-10-22(21)17-28/h1-11,16H
InChI Key:
UICHIMAPUFZHBJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1C#Cc1ccccc1C#Cc1cccc(c1)C(F)(F)F
Properties
Complexity:
716
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.092g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.362g/mol
Monoisotopic Mass:
371.092g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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