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Home > Fluorides > 823226-92-2
823226-92-2 | Benzene, 1,2-bis[[4-(trifluoromethyl)phenyl]ethynyl]-
CAS No: 823226-92-2 Catalog No: AG004YWM MDL No:
Product Description
Catalog Number:
AG004YWM
Chemical Name:
Benzene, 1,2-bis[[4-(trifluoromethyl)phenyl]ethynyl]-
CAS Number:
823226-92-2
Molecular Formula:
C24H12F6
Molecular Weight:
414.3425
IUPAC Name:
1,2-bis[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene
InChI:
InChI=1S/C24H12F6/c25-23(26,27)21-13-7-17(8-14-21)5-11-19-3-1-2-4-20(19)12-6-18-9-15-22(16-10-18)24(28,29)30/h1-4,7-10,13-16H
InChI Key:
OABTVNFCLSHDDV-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)C#Cc1ccccc1C#Cc1ccc(cc1)C(F)(F)F)(F)F
NSC Number:
727184
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.084g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.35g/mol
Monoisotopic Mass:
414.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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