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1247841-25-3 | (1-methyl-1H-pyrazol-4-yl)methanesulfonamide
CAS No: 1247841-25-3 Catalog No: AG019RR0 MDL No:MFCD16679030
Product Description
Catalog Number:
AG019RR0
Chemical Name:
(1-methyl-1H-pyrazol-4-yl)methanesulfonamide
CAS Number:
1247841-25-3
Molecular Formula:
C5H9N3O2S
Molecular Weight:
175.2089
MDL Number:
MFCD16679030
IUPAC Name:
(1-methylpyrazol-4-yl)methanesulfonamide
InChI:
InChI=1S/C5H9N3O2S/c1-8-3-5(2-7-8)4-11(6,9)10/h2-3H,4H2,1H3,(H2,6,9,10)
InChI Key:
PYHBPMYORLDKDX-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)CS(=O)(=O)N
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.042g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.206g/mol
Monoisotopic Mass:
175.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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