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Home > Fluorides > 138949-94-7
138949-94-7 | 1,2,3,4,5-Benzenepentacarbonitrile, 6-(trifluoromethyl)-
CAS No: 138949-94-7 Catalog No: AG0019WO MDL No:
Product Description
Catalog Number:
AG0019WO
Chemical Name:
1,2,3,4,5-Benzenepentacarbonitrile, 6-(trifluoromethyl)-
CAS Number:
138949-94-7
Molecular Formula:
C12F3N5
Molecular Weight:
271.1571
IUPAC Name:
6-(trifluoromethyl)benzene-1,2,3,4,5-pentacarbonitrile
InChI:
InChI=1S/C12F3N5/c13-12(14,15)11-9(4-19)7(2-17)6(1-16)8(3-18)10(11)5-20
InChI Key:
QRAFNCDISODAPH-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)c(C#N)c(c(c1C#N)C#N)C(F)(F)F
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.011g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.162g/mol
Monoisotopic Mass:
271.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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