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1476111-78-0 | 3-(tert-butyl)-1-methyl-1H-pyrazole-4-sulfonamide
CAS No: 1476111-78-0 Catalog No: AG01B3A1 MDL No:MFCD21667012
Product Description
Catalog Number:
AG01B3A1
Chemical Name:
3-(tert-butyl)-1-methyl-1H-pyrazole-4-sulfonamide
CAS Number:
1476111-78-0
Molecular Formula:
C8H15N3O2S
Molecular Weight:
217.2886
MDL Number:
MFCD21667012
IUPAC Name:
3-tert-butyl-1-methylpyrazole-4-sulfonamide
InChI:
InChI=1S/C8H15N3O2S/c1-8(2,3)7-6(14(9,12)13)5-11(4)10-7/h5H,1-4H3,(H2,9,12,13)
InChI Key:
XMOSSRHBQAHNLO-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1)S(=O)(=O)N)C(C)(C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
217.287g/mol
Monoisotopic Mass:
217.088g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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