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192188-29-7 | 1,2-Benzenedicarbonitrile, 4-(2-acetyldiazenyl)-5-(methylsulfonyl)-
CAS No: 192188-29-7 Catalog No: AG002FOZ MDL No:
Product Description
Catalog Number:
AG002FOZ
Chemical Name:
1,2-Benzenedicarbonitrile, 4-(2-acetyldiazenyl)-5-(methylsulfonyl)-
CAS Number:
192188-29-7
Molecular Formula:
C11H8N4O3S
Molecular Weight:
276.2712
IUPAC Name:
N-(4,5-dicyano-2-methylsulfonylphenyl)iminoacetamide
InChI:
InChI=1S/C11H8N4O3S/c1-7(16)14-15-10-3-8(5-12)9(6-13)4-11(10)19(2,17)18/h3-4H,1-2H3
InChI Key:
QNYIQCBXAZSEIM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N=NC(=O)C)c(cc1C#N)S(=O)(=O)C
Properties
Complexity:
586
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.27g/mol
Monoisotopic Mass:
276.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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