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86870-50-0

86870-50-0 | 2-Propanone,1,1,1,3,3,3-hexafluoro-, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazone

CAS No: 86870-50-0 Catalog No: AG004LWK MDL No:

Product Description

Catalog Number:
AG004LWK
Chemical Name:
2-Propanone,1,1,1,3,3,3-hexafluoro-, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]hydrazone
CAS Number:
86870-50-0
Molecular Formula:
C10H3F9N4O4
Molecular Weight:
414.1408
IUPAC Name:
N-(1,1,1,3,3,3-hexafluoropropan-2-ylideneamino)-2,6-dinitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C10H3F9N4O4/c11-8(12,13)3-1-4(22(24)25)6(5(2-3)23(26)27)20-21-7(9(14,15)16)10(17,18)19/h1-2,20H
InChI Key:
KFKVMKWTLGWUDA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1NN=C(C(F)(F)F)C(F)(F)F)[N+](=O)[O-])C(F)(F)F

Properties

Complexity:
564  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.001g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
15  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
414.144g/mol
Monoisotopic Mass:
414.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  

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