(9-oxofluoren-4-yl)boronic acid

C13H9BO3 — CID 67270754

IUPAC(9-oxofluoren-4-yl)boronic acid
SMILESO=C1c2ccccc2-c2c(B(O)O)cccc21
InChIInChI=1S/C13H9BO3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7,16-17H
InChIKeyYLYFZILEPSCPJW-UHFFFAOYSA-N
MW224.02 g/mol
LogP0.58
Rot. Bonds1

About (9-oxofluoren-4-yl)boronic acid

(9-oxofluoren-4-yl)boronic acid (PubChem CID 67270754) has the molecular formula C13H9BO3 and a molecular weight of 224.02 g/mol. Its IUPAC name is (9-oxofluoren-4-yl)boronic acid.

Molecular Properties

Compound Name(9-oxofluoren-4-yl)boronic acid
PubChem CID67270754
Molecular FormulaC13H9BO3
Molecular Weight224.02 g/mol
Exact Mass224.06
IUPAC Name(9-oxofluoren-4-yl)boronic acid
SMILESO=C1c2ccccc2-c2c(B(O)O)cccc21
InChIInChI=1S/C13H9BO3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7,16-17H
InChIKeyYLYFZILEPSCPJW-UHFFFAOYSA-N
XLogP0.58
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.02
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 67824005
CID 67824005
methyl (9-oxofluoren-4-yl) carbonate
CID 67416838
anthracene-9,10-dione;1-methylanthracene-9,10-dione
CID 158636797
ethane;bis(fluoren-9-one);methanol
CID 162250310
(5,10-dioxo-5-phenylacridophosphin-1-yl)boronic acid
CID 155666222
1-(1-bromoethyl)anthracene-9,10-dione
CID 23511068
9-oxofluorene-4-carbonyl chloride
CID 610142
CID 66807709
CID 66807709
lithium;anthracene-9,10-dione;hydride
CID 174683199
anthracene-9,10-dione;hydrofluoride
CID 172728823
9,9'-spirobi[fluorene]-4'-ylboronic acid
CID 71249292
(3-methyl-1,4-dioxonaphthalen-2-yl)boronic acid
CID 25197329

Frequently Asked Questions

What is the IUPAC name of (9-oxofluoren-4-yl)boronic acid?
The IUPAC name of (9-oxofluoren-4-yl)boronic acid (CID 67270754) is (9-oxofluoren-4-yl)boronic acid.
What is the SMILES notation for (9-oxofluoren-4-yl)boronic acid?
The canonical SMILES for (9-oxofluoren-4-yl)boronic acid is O=C1c2ccccc2-c2c(B(O)O)cccc21.
What is the InChIKey of (9-oxofluoren-4-yl)boronic acid?
The InChIKey is YLYFZILEPSCPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BO3/c15-13-9-5-2-1-4-8(9)12-10(13)6-3-7-11(12)14(16)17/h1-7,16-17H.
What are the key properties of (9-oxofluoren-4-yl)boronic acid?
(9-oxofluoren-4-yl)boronic acid has a molecular weight of 224.02 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-oxofluoren-4-yl)boronic acid is sourced from PubChem (CID 67270754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).