E06

[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron

Created:	2010-12-15
Last modified:	2024-09-27

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Chemical Details
Formal Charge	-1
Atom Count	28
Chiral Atom Count	1
Bond Count	28
Aromatic Bond Count	6

2D diagram of E06

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Chemical Component Summary
Name	[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
Systematic Name (OpenEye OEToolkits)	[(1R)-1-[(2,6-difluorophenyl)carbonylamino]ethyl]-trihydroxy-boron
Formula	C₉ H₁₁ B F₂ N O₄
Molecular Weight	245.996
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.352	C[CH](NC(=O)c1c(F)cccc1F)[B-](O)(O)O
SMILES	OpenEye OEToolkits	1.6.1	[B-](C(C)NC(=O)c1c(cccc1F)F)(O)(O)O
Canonical SMILES	CACTVS	3.352	C[C@H](NC(=O)c1c(F)cccc1F)[B-](O)(O)O
Canonical SMILES	OpenEye OEToolkits	1.6.1	[B-]([C@H](C)NC(=O)c1c(cccc1F)F)(O)(O)O
InChI	InChI	1.03	InChI=1S/C9H11BF2NO4/c1-5(10(15,16)17)13-9(14)8-6(11)3-2-4-7(8)12/h2-5,15-17H,1H3,(H,13,14)/q-1/t5-/m0/s1
InChIKey	InChI	1.03	QINJDAAOPMYOAS-YFKPBYRVSA-N

Related Resource References

Resource Name	Reference
PubChem	53301829

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