1,2-Benzisoxazole-5-sulfonyl chloride


Chemical Name: 1,2-Benzisoxazole-5-sulfonyl chloride
CAS Number: 16331-62-7
Product Number: AG001U0X(AGN-PC-003ZVM)
Synonyms:
MDL No:
Molecular Formula: C7H4ClNO3S
Molecular Weight: 217.6296

Identification/Properties


Computed Properties
Molecular Weight:
217.623g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
216.96g/mol
Monoisotopic Mass:
216.96g/mol
Topological Polar Surface Area:
68.6A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
287
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:
H302-H314-H332
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


Other Analytical Data


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