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102121-98-2 | 1,3-Benzenedicarbonitrile, 4-amino-2,5,6-trifluoro-
CAS No: 102121-98-2 Catalog No: AG0006OD MDL No:
Product Description
Catalog Number:
AG0006OD
Chemical Name:
1,3-Benzenedicarbonitrile, 4-amino-2,5,6-trifluoro-
CAS Number:
102121-98-2
Molecular Formula:
C8H2F3N3
Molecular Weight:
197.1168
IUPAC Name:
4-amino-2,5,6-trifluorobenzene-1,3-dicarbonitrile
InChI:
InChI=1S/C8H2F3N3/c9-5-3(1-12)6(10)7(11)8(14)4(5)2-13/h14H2
InChI Key:
MDJWWLDAOILRHU-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)c(F)c(c(c1F)C#N)F
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:
1.5
Literature
| Title | Journal |
|---|---|
| Synthesis and antimicrobial activity of polyhalo isophthalonitrile derivatives. | Bioorganic & medicinal chemistry letters 20130415 |
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