aminooxy(phenyl)borinic acid;9H-fluorene

C19H18BNO2 — CID 174868194

IUPACaminooxy(phenyl)borinic acid;9H-fluorene
SMILESNOB(O)c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C6H8BNO2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;8-10-7(9)6-4-2-1-3-5-6/h1-8H,9H2;1-5,9H,8H2
InChIKeyASAUKFTZKSOCMS-UHFFFAOYSA-N
MW303.17 g/mol
LogP2.52
Rot. Bonds2

About aminooxy(phenyl)borinic acid;9H-fluorene

aminooxy(phenyl)borinic acid;9H-fluorene (PubChem CID 174868194) has the molecular formula C19H18BNO2 and a molecular weight of 303.17 g/mol. Its IUPAC name is aminooxy(phenyl)borinic acid;9H-fluorene.

Molecular Properties

Compound Nameaminooxy(phenyl)borinic acid;9H-fluorene
PubChem CID174868194
Molecular FormulaC19H18BNO2
Molecular Weight303.17 g/mol
Exact Mass303.14
IUPAC Nameaminooxy(phenyl)borinic acid;9H-fluorene
SMILESNOB(O)c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2
InChIInChI=1S/C13H10.C6H8BNO2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;8-10-7(9)6-4-2-1-3-5-6/h1-8H,9H2;1-5,9H,8H2
InChIKeyASAUKFTZKSOCMS-UHFFFAOYSA-N
XLogP2.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.17
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

cadmium;9H-fluorene
CID 175337736
azane;hexakis(9H-fluorene)
CID 158472914
9H-fluorene;trihydrofluoride
CID 172854917
chromium;9H-fluorene
CID 161167703
1,1'-biphenyl;9H-fluorene;hydrazine
CID 157286275
azane;9H-fluorene;hydrobromide
CID 174352852
ethene;9H-fluorene
CID 159544077
9H-fluorene;sulfane;hydrate
CID 159057499
butane-1,4-diol;9H-fluorene
CID 158933795
ethane-1,2-diamine;9H-fluorene
CID 159422270
acetic acid;azane;9H-fluorene
CID 174966259
9H-fluorene;oxophosphane
CID 174601741

Frequently Asked Questions

What is the IUPAC name of aminooxy(phenyl)borinic acid;9H-fluorene?
The IUPAC name of aminooxy(phenyl)borinic acid;9H-fluorene (CID 174868194) is aminooxy(phenyl)borinic acid;9H-fluorene.
What is the SMILES notation for aminooxy(phenyl)borinic acid;9H-fluorene?
The canonical SMILES for aminooxy(phenyl)borinic acid;9H-fluorene is NOB(O)c1ccccc1.c1ccc2c(c1)Cc1ccccc1-2.
What is the InChIKey of aminooxy(phenyl)borinic acid;9H-fluorene?
The InChIKey is ASAUKFTZKSOCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.C6H8BNO2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;8-10-7(9)6-4-2-1-3-5-6/h1-8H,9H2;1-5,9H,8H2.
What are the key properties of aminooxy(phenyl)borinic acid;9H-fluorene?
aminooxy(phenyl)borinic acid;9H-fluorene has a molecular weight of 303.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aminooxy(phenyl)borinic acid;9H-fluorene is sourced from PubChem (CID 174868194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).