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89683-16-9 | 1H-Naphtho[2,3-d]triazole-4,9-dione, 6,7-dimethyl-5-(methylsulfinyl)-
CAS No: 89683-16-9 Catalog No: AG0043A0 MDL No:
Product Description
Catalog Number:
AG0043A0
Chemical Name:
1H-Naphtho[2,3-d]triazole-4,9-dione, 6,7-dimethyl-5-(methylsulfinyl)-
CAS Number:
89683-16-9
Molecular Formula:
C13H11N3O3S
Molecular Weight:
289.3097
IUPAC Name:
6,7-dimethyl-5-methylsulfinyl-2H-benzo[f]benzotriazole-4,9-dione
InChI:
InChI=1S/C13H11N3O3S/c1-5-4-7-8(13(6(5)2)20(3)19)12(18)10-9(11(7)17)14-16-15-10/h4H,1-3H3,(H,14,15,16)
InChI Key:
QROCVVIVCNQMFZ-UHFFFAOYSA-N
SMILES:
O=C1c2[nH]nnc2C(=O)c2c1cc(C)c(c2S(=O)C)C
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.309g/mol
Monoisotopic Mass:
289.052g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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