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Home > Fluorides > 138949-95-8
138949-95-8 | 1,2,4,5-Benzenetetracarbonitrile, 3,6-bis(trifluoromethyl)-
CAS No: 138949-95-8 Catalog No: AG0019WN MDL No:
Product Description
Catalog Number:
AG0019WN
Chemical Name:
1,2,4,5-Benzenetetracarbonitrile, 3,6-bis(trifluoromethyl)-
CAS Number:
138949-95-8
Molecular Formula:
C12F6N4
Molecular Weight:
314.1456
IUPAC Name:
3,6-bis(trifluoromethyl)benzene-1,2,4,5-tetracarbonitrile
InChI:
InChI=1S/C12F6N4/c13-11(14,15)9-5(1-19)6(2-20)10(12(16,17)18)8(4-22)7(9)3-21
InChI Key:
IPRWSRFKFQXWHC-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)c(c(c(c1C(F)(F)F)C#N)C#N)C(F)(F)F
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.003g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.15g/mol
Monoisotopic Mass:
314.003g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
95.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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