H9E

[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide

Created:2018-12-03
Last modified:  2019-10-18

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Chemical Details

Formal Charge-1
Atom Count24
Chiral Atom Count0
Bond Count25
Aromatic Bond Count10
2D diagram of H9E

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Chemical Component Summary

Name[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
Systematic Name (OpenEye OEToolkits)[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
FormulaC9 H9 B Br O3 S
Molecular Weight287.946
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385O[B-](O)(O)c1sc2ccc(CBr)cc2c1
SMILESOpenEye OEToolkits2.0.7[B-](c1cc2cc(ccc2s1)CBr)(O)(O)O
Canonical SMILESCACTVS3.385 O[B-](O)(O)c1sc2ccc(CBr)cc2c1
Canonical SMILESOpenEye OEToolkits2.0.7 [B-](c1cc2cc(ccc2s1)CBr)(O)(O)O
InChIInChI1.03 InChI=1S/C9H9BBrO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5H2/q-1
InChIKeyInChI1.03 YBCAXTUNRJBXIK-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 138320056