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6339-55-5 | 1H-Imidazole-5-sulfonamide (9CI), 1-methyl-4-nitro-
CAS No: 6339-55-5 Catalog No: AG00EX48 MDL No:MFCD16093740
Product Description
Catalog Number:
AG00EX48
Chemical Name:
1H-Imidazole-5-sulfonamide (9CI), 1-methyl-4-nitro-
CAS Number:
6339-55-5
Molecular Formula:
C4H6N4O4S
Molecular Weight:
206.1798
MDL Number:
MFCD16093740
IUPAC Name:
3-methyl-5-nitroimidazole-4-sulfonamide
InChI:
InChI=1S/C4H6N4O4S/c1-7-2-6-3(8(9)10)4(7)13(5,11)12/h2H,1H3,(H2,5,11,12)
InChI Key:
MWZUIMSIQYBGBM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ncn(c1S(=O)(=O)N)C
NSC Number:
38075
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.011g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.176g/mol
Monoisotopic Mass:
206.011g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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