Benzenesulfonyl cyanide, 4-methyl-


Chemical Name: Benzenesulfonyl cyanide, 4-methyl-
CAS Number: 19158-51-1
Product Number: AG002FCH(AGN-PC-0JLX4O)
Synonyms:
MDL No:
Molecular Formula: C8H7NO2S
Molecular Weight: 181.2117

Identification/Properties


Computed Properties
Molecular Weight:
181.209g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
181.02g/mol
Monoisotopic Mass:
181.02g/mol
Topological Polar Surface Area:
66.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
285
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:
H312+H332-H314-H318
Precautionary Statements:
P260-P264-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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