2-methylpyrazole-3-sulfonyl chloride


Chemical Name: 2-methylpyrazole-3-sulfonyl chloride
CAS Number: 1020721-61-2
Product Number: AG0006K4(AGN-PC-03PDP3)
Synonyms:
MDL No:
Molecular Formula: C4H5ClN2O2S
Molecular Weight: 180.6127

Identification/Properties


Computed Properties
Molecular Weight:
180.606g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
179.976g/mol
Monoisotopic Mass:
179.976g/mol
Topological Polar Surface Area:
60.3A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
210
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
3265
Hazard Statements:
H301-H314-H318
Precautionary Statements:
P260-P264-P270-P280-P301+P310-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P330-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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