1H-Imidazole-4-sulfonyl chloride


Chemical Name: 1H-Imidazole-4-sulfonyl chloride
CAS Number: 58767-51-4
Product Number: AG00IAG7(AGN-PC-0OCS7U)
Synonyms:
MDL No:
Molecular Formula: C3H3ClN2O2S
Molecular Weight: 166.5861

Identification/Properties


Computed Properties
Molecular Weight:
166.579g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
165.96g/mol
Monoisotopic Mass:
165.96g/mol
Topological Polar Surface Area:
71.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
185
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#:
3261
Hazard Statements:
H314-H318
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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