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60729-96-6 | 1-phenyl-1H-pyrazole-4-sulfonamide
CAS No: 60729-96-6 Catalog No: AG01A7U4 MDL No:MFCD14657998
Product Description
Catalog Number:
AG01A7U4
Chemical Name:
1-phenyl-1H-pyrazole-4-sulfonamide
CAS Number:
60729-96-6
Molecular Formula:
C9H9N3O2S
Molecular Weight:
223.2517
MDL Number:
MFCD14657998
IUPAC Name:
1-phenylpyrazole-4-sulfonamide
InChI:
InChI=1S/C9H9N3O2S/c10-15(13,14)9-6-11-12(7-9)8-4-2-1-3-5-8/h1-7H,(H2,10,13,14)
InChI Key:
NRKISLJLPSFGSR-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1cnn(c1)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.25g/mol
Monoisotopic Mass:
223.042g/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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