(7-borono-9H-fluoren-2-yl)boronic acid

C13H12B2O4 — CID 57180982

IUPAC(7-borono-9H-fluoren-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)Cc1cc(B(O)O)ccc1-2
InChIInChI=1S/C13H12B2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7,16-19H,5H2
InChIKeyYORKZQSDEFMBPF-UHFFFAOYSA-N
MW253.86 g/mol
LogP-1.38
Rot. Bonds2

About (7-borono-9H-fluoren-2-yl)boronic acid

(7-borono-9H-fluoren-2-yl)boronic acid (PubChem CID 57180982) has the molecular formula C13H12B2O4 and a molecular weight of 253.86 g/mol. Its IUPAC name is (7-borono-9H-fluoren-2-yl)boronic acid.

Molecular Properties

Compound Name(7-borono-9H-fluoren-2-yl)boronic acid
PubChem CID57180982
Molecular FormulaC13H12B2O4
Molecular Weight253.86 g/mol
Exact Mass254.09
IUPAC Name(7-borono-9H-fluoren-2-yl)boronic acid
SMILESOB(O)c1ccc2c(c1)Cc1cc(B(O)O)ccc1-2
InChIInChI=1S/C13H12B2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7,16-19H,5H2
InChIKeyYORKZQSDEFMBPF-UHFFFAOYSA-N
XLogP-1.38
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.86
LogP ≤ 5-1.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-borono-9H-fluoren-2-yl)boronic acid?
The IUPAC name of (7-borono-9H-fluoren-2-yl)boronic acid (CID 57180982) is (7-borono-9H-fluoren-2-yl)boronic acid.
What is the SMILES notation for (7-borono-9H-fluoren-2-yl)boronic acid?
The canonical SMILES for (7-borono-9H-fluoren-2-yl)boronic acid is OB(O)c1ccc2c(c1)Cc1cc(B(O)O)ccc1-2.
What is the InChIKey of (7-borono-9H-fluoren-2-yl)boronic acid?
The InChIKey is YORKZQSDEFMBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12B2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7,16-19H,5H2.
What are the key properties of (7-borono-9H-fluoren-2-yl)boronic acid?
(7-borono-9H-fluoren-2-yl)boronic acid has a molecular weight of 253.86 g/mol, XLogP of -1.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-borono-9H-fluoren-2-yl)boronic acid is sourced from PubChem (CID 57180982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).