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89683-17-0 | 1H-Naphtho[2,3-d]triazole-4,9-dione, 6,7-dimethyl-5-(methylsulfonyl)-
CAS No: 89683-17-0 Catalog No: AG00439Z MDL No:
Product Description
Catalog Number:
AG00439Z
Chemical Name:
1H-Naphtho[2,3-d]triazole-4,9-dione, 6,7-dimethyl-5-(methylsulfonyl)-
CAS Number:
89683-17-0
Molecular Formula:
C13H11N3O4S
Molecular Weight:
305.3091
IUPAC Name:
6,7-dimethyl-5-methylsulfonyl-2H-benzo[f]benzotriazole-4,9-dione
InChI:
InChI=1S/C13H11N3O4S/c1-5-4-7-8(13(6(5)2)21(3,19)20)12(18)10-9(11(7)17)14-16-15-10/h4H,1-3H3,(H,14,15,16)
InChI Key:
QMAJMHXKIWUYAZ-UHFFFAOYSA-N
SMILES:
O=C1c2[nH]nnc2C(=O)c2c1cc(C)c(c2S(=O)(=O)C)C
Properties
Complexity:
585
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
305.308g/mol
Monoisotopic Mass:
305.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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