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79784-42-2 | 1,2,4-Triazine-3(2H)-thione, 5-(pentafluorophenyl)-
CAS No: 79784-42-2 Catalog No: AG00569L MDL No:
Product Description
Catalog Number:
AG00569L
Chemical Name:
1,2,4-Triazine-3(2H)-thione, 5-(pentafluorophenyl)-
CAS Number:
79784-42-2
Molecular Formula:
C9H2F5N3S
Molecular Weight:
279.1893
IUPAC Name:
5-(2,3,4,5,6-pentafluorophenyl)-2H-1,2,4-triazine-3-thione
InChI:
InChI=1S/C9H2F5N3S/c10-4-3(2-1-15-17-9(18)16-2)5(11)7(13)8(14)6(4)12/h1H,(H,16,17,18)
InChI Key:
YEPYSEYLZUXUBW-UHFFFAOYSA-N
SMILES:
Fc1c(c2cn[nH]c(=S)n2)c(F)c(c(c1F)F)F
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.989g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.188g/mol
Monoisotopic Mass:
278.989g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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