Home Nitriles 4-amino-3,5,6-trifluorobenzene-1,2-dicarbonitrile

4-amino-3,5,6-trifluorobenzene-1,2-dicarbonitrile

CAS No.:
25693-94-1
Catalog Number:
AG01A3MC
Molecular Formula:
C8H2F3N3
Molecular Weight:
197.1168
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Product Description
Catalog Number:
AG01A3MC
Chemical Name:
4-amino-3,5,6-trifluorobenzene-1,2-dicarbonitrile
CAS Number:
25693-94-1
Molecular Formula:
C8H2F3N3
Molecular Weight:
197.1168
MDL Number:
MFCD00483216
IUPAC Name:
4-amino-3,5,6-trifluorobenzene-1,2-dicarbonitrile
InChI:
InChI=1S/C8H2F3N3/c9-5-3(1-12)4(2-13)6(10)8(14)7(5)11/h14H2
InChI Key:
DWSBLPOJFMENII-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)c(F)c(c(c1F)F)N
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
197.12g/mol
Monoisotopic Mass:
197.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties