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Home > Nitro Compounds > 1181457-77-1
1181457-77-1 | 1-methyl-3-nitro-1H-pyrazole-4-sulfonamide
CAS No: 1181457-77-1 Catalog No: AG019V9K MDL No:MFCD12197081
Product Description
Catalog Number:
AG019V9K
Chemical Name:
1-methyl-3-nitro-1H-pyrazole-4-sulfonamide
CAS Number:
1181457-77-1
Molecular Formula:
C4H6N4O4S
Molecular Weight:
206.1798
MDL Number:
MFCD12197081
IUPAC Name:
1-methyl-3-nitropyrazole-4-sulfonamide
InChI:
InChI=1S/C4H6N4O4S/c1-7-2-3(13(5,11)12)4(6-7)8(9)10/h2H,1H3,(H2,5,11,12)
InChI Key:
OKQYRCQGLCTMQF-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)[N+](=O)[O-])S(=O)(=O)N
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:
-1
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