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93981-74-9 | 4-[(HEXAHYDRO-2,4,6-TRIOXO-PYRIMIDIN-5-YL)AZO]-3-METHOXYBENZENESULFONAMIDE
CAS No: 93981-74-9 Catalog No: AG005W5Q MDL No:
Product Description
Catalog Number:
AG005W5Q
Chemical Name:
4-[(HEXAHYDRO-2,4,6-TRIOXO-PYRIMIDIN-5-YL)AZO]-3-METHOXYBENZENESULFONAMIDE
CAS Number:
93981-74-9
Molecular Formula:
C11H11N5O6S
Molecular Weight:
341.2999
IUPAC Name:
3-methoxy-4-[(2,4,6-trioxo-1,3-diazinan-5-yl)diazenyl]benzenesulfonamide
InChI:
InChI=1S/C11H11N5O6S/c1-22-7-4-5(23(12,20)21)2-3-6(7)15-16-8-9(17)13-11(19)14-10(8)18/h2-4,8H,1H3,(H2,12,20,21)(H2,13,14,17,18,19)
InChI Key:
ZRCWVQUZZWYZNH-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1N=NC1C(=O)NC(=O)NC1=O)S(=O)(=O)N
EC Number:
301-161-2
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.043g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
341.298g/mol
Monoisotopic Mass:
341.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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