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89683-13-6 | 1H-Naphtho[2,3-d]triazole-4,9-dione, 5-(propylsulfinyl)-
CAS No: 89683-13-6 Catalog No: AG0042XZ MDL No:
Product Description
Catalog Number:
AG0042XZ
Chemical Name:
1H-Naphtho[2,3-d]triazole-4,9-dione, 5-(propylsulfinyl)-
CAS Number:
89683-13-6
Molecular Formula:
C13H11N3O3S
Molecular Weight:
289.3097
IUPAC Name:
5-propylsulfinyl-2H-benzo[f]benzotriazole-4,9-dione
InChI:
InChI=1S/C13H11N3O3S/c1-2-6-20(19)8-5-3-4-7-9(8)13(18)11-10(12(7)17)14-16-15-11/h3-5H,2,6H2,1H3,(H,14,15,16)
InChI Key:
MNHRPTHIOWCICM-UHFFFAOYSA-N
SMILES:
CCCS(=O)c1cccc2c1C(=O)c1nn[nH]c1C2=O
Properties
Complexity:
456
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:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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