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1018978-50-1 | 3-(5-NITRO-4-THIOCYANATO-PYRIMIDIN-2-YL)-3H-BENZOIMIDAZOLE-5-CARBONITRILE
CAS No: 1018978-50-1 Catalog No: AG008SW3 MDL No:
Product Description
Catalog Number:
AG008SW3
Chemical Name:
3-(5-NITRO-4-THIOCYANATO-PYRIMIDIN-2-YL)-3H-BENZOIMIDAZOLE-5-CARBONITRILE
CAS Number:
1018978-50-1
IUPAC Name:
[2-(6-cyanobenzimidazol-1-yl)-5-nitropyrimidin-4-yl] thiocyanate
InChI:
InChI=1S/C13H5N7O2S/c14-4-8-1-2-9-10(3-8)19(7-17-9)13-16-5-11(20(21)22)12(18-13)23-6-15/h1-3,5,7H
InChI Key:
BKINTJAXGLIKMI-UHFFFAOYSA-N
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.023g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.29g/mol
Monoisotopic Mass:
323.023g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
162A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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