aminooxy(phenoxy)borinic acid

C6H8BNO3 — CID 19081591

IUPACaminooxy(phenoxy)borinic acid
SMILESNOB(O)Oc1ccccc1
InChIInChI=1S/C6H8BNO3/c8-11-7(9)10-6-4-2-1-3-5-6/h1-5,9H,8H2
InChIKeyXIPRTRJDLZVSHO-UHFFFAOYSA-N
MW152.95 g/mol
LogP-0.07
Rot. Bonds3

About aminooxy(phenoxy)borinic acid

aminooxy(phenoxy)borinic acid (PubChem CID 19081591) has the molecular formula C6H8BNO3 and a molecular weight of 152.95 g/mol. Its IUPAC name is aminooxy(phenoxy)borinic acid.

Molecular Properties

Compound Nameaminooxy(phenoxy)borinic acid
PubChem CID19081591
Molecular FormulaC6H8BNO3
Molecular Weight152.95 g/mol
Exact Mass153.06
IUPAC Nameaminooxy(phenoxy)borinic acid
SMILESNOB(O)Oc1ccccc1
InChIInChI=1S/C6H8BNO3/c8-11-7(9)10-6-4-2-1-3-5-6/h1-5,9H,8H2
InChIKeyXIPRTRJDLZVSHO-UHFFFAOYSA-N
XLogP-0.07
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.95
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

azane;diphenoxyborinic acid
CID 172846440
azane;phenoxy(trityloxy)borinic acid
CID 173204467
(4-methylphenoxy)-phenoxycarbonyloxyborinic acid
CID 139843162
boric acid;phenoxybenzene
CID 66799508
CID 69028667
CID 69028667
CID 70442081
CID 70442081
phenoxy(2,2,2-trifluoroethylperoxy)borinic acid
CID 142796996
O-phenylhydroxylamine;zirconium
CID 174144426
O-phenylhydroxylamine;zinc
CID 175464016
N,N-diethylethanamine;phenoxyboronic acid
CID 157075619
O-phenoxyhydroxylamine
CID 20645120
benzo[a]anthracen-1-yloxy(phenoxy)borinic acid
CID 23019718

Frequently Asked Questions

What is the IUPAC name of aminooxy(phenoxy)borinic acid?
The IUPAC name of aminooxy(phenoxy)borinic acid (CID 19081591) is aminooxy(phenoxy)borinic acid.
What is the SMILES notation for aminooxy(phenoxy)borinic acid?
The canonical SMILES for aminooxy(phenoxy)borinic acid is NOB(O)Oc1ccccc1.
What is the InChIKey of aminooxy(phenoxy)borinic acid?
The InChIKey is XIPRTRJDLZVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO3/c8-11-7(9)10-6-4-2-1-3-5-6/h1-5,9H,8H2.
What are the key properties of aminooxy(phenoxy)borinic acid?
aminooxy(phenoxy)borinic acid has a molecular weight of 152.95 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy(phenoxy)borinic acid is sourced from PubChem (CID 19081591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).