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Home > Imidazoles > 115781-41-4
115781-41-4 | Sulfamic acid, N-[8-(hydroxymethyl)-3-methyl-3H-imidazo[4,5-f]quinoxalin-2-yl]-
CAS No: 115781-41-4 Catalog No: AG000GUK MDL No:
Product Description
Catalog Number:
AG000GUK
Chemical Name:
Sulfamic acid, N-[8-(hydroxymethyl)-3-methyl-3H-imidazo[4,5-f]quinoxalin-2-yl]-
CAS Number:
115781-41-4
Molecular Formula:
C11H11N5O4S
Molecular Weight:
309.3011
IUPAC Name:
[8-(hydroxymethyl)-3-methylimidazo[4,5-f]quinoxalin-2-yl]sulfamic acid
InChI:
InChI=1S/C11H11N5O4S/c1-16-8-3-2-7-9(13-6(5-17)4-12-7)10(8)14-11(16)15-21(18,19)20/h2-4,17H,5H2,1H3,(H,14,15)(H,18,19,20)
InChI Key:
PMFUOUDXJHIUEN-UHFFFAOYSA-N
SMILES:
OCc1cnc2c(n1)c1nc(n(c1cc2)C)NS(=O)(=O)O
UNII:
6URI131J2Z
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.053g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
309.3g/mol
Monoisotopic Mass:
309.053g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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