CAS 6126-10-9 | 1-Tosyl-1H-pyrazole | CAS Number 6126-10-9

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6126-10-9 | 1-Tosyl-1H-pyrazole

CAS No: 6126-10-9 Catalog No: AG003ENY MDL No:MFCD02942340

Product Description

Catalog Number:

AG003ENY

Chemical Name:

1-Tosyl-1H-pyrazole

CAS Number:

6126-10-9

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

MDL Number:

MFCD02942340

IUPAC Name:

1-(4-methylphenyl)sulfonylpyrazole

InChI:

InChI=1S/C10H10N2O2S/c1-9-3-5-10(6-4-9)15(13,14)12-8-2-7-11-12/h2-8H,1H3

InChI Key:

XDFZXGSBGXAPLS-UHFFFAOYSA-N

SMILES:

Cc1ccc(cc1)S(=O)(=O)n1cccn1

NSC Number:

269428

Properties

Complexity:

302

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.262g/mol

Monoisotopic Mass:

222.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

60.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.8

Literature

Title	Journal
A 1H, 13C and 15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles.	Magnetic resonance in chemistry : MRC 20060501
Reactivities of novel [hydroxy(tosyloxy)iodo]arenes and [hydroxy(phosphoryloxy)iodo]arenes for alpha-tosyloxylation and alpha-phosphoryloxylation of ketones.	The Journal of organic chemistry 20020614