JW8

{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid

Created:2016-09-28
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count0
Bond Count29
Aromatic Bond Count6
2D diagram of JW8

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Chemical Component Summary

Name{4-[(azetidin-1-yl)sulfonyl]phenyl}boronic acid
Systematic Name (OpenEye OEToolkits)[4-(azetidin-1-ylsulfonyl)phenyl]boronic acid
FormulaC9 H12 B N O4 S
Molecular Weight241.072
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(ccc(B(O)O)cc1)S(=O)(N2CCC2)=O
SMILESCACTVS3.385OB(O)c1ccc(cc1)[S](=O)(=O)N2CCC2
SMILESOpenEye OEToolkits2.0.6B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O
Canonical SMILESCACTVS3.385 OB(O)c1ccc(cc1)[S](=O)(=O)N2CCC2
Canonical SMILESOpenEye OEToolkits2.0.6 B(c1ccc(cc1)S(=O)(=O)N2CCC2)(O)O
InChIInChI1.03 InChI=1S/C9H12BNO4S/c12-10(13)8-2-4-9(5-3-8)16(14,15)11-6-1-7-11/h2-5,12-13H,1,6-7H2
InChIKeyInChI1.03 IOGLONDWRZETTA-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 44886919