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89683-11-4 | 1H-Naphtho[2,3-d]triazole-4,9-dione, 5-(ethylsulfonyl)-
CAS No: 89683-11-4 Catalog No: AG0044HV MDL No:
Product Description
Catalog Number:
AG0044HV
Chemical Name:
1H-Naphtho[2,3-d]triazole-4,9-dione, 5-(ethylsulfonyl)-
CAS Number:
89683-11-4
Molecular Formula:
C12H9N3O4S
Molecular Weight:
291.2826
IUPAC Name:
5-ethylsulfonyl-2H-benzo[f]benzotriazole-4,9-dione
InChI:
InChI=1S/C12H9N3O4S/c1-2-20(18,19)7-5-3-4-6-8(7)12(17)10-9(11(6)16)13-15-14-10/h3-5H,2H2,1H3,(H,13,14,15)
InChI Key:
DREKBRDGYHHYGL-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1cccc2c1C(=O)c1c(C2=O)[nH]nn1
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.031g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.281g/mol
Monoisotopic Mass:
291.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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