(2,3,4-tribromophenyl)boronic acid;zinc

C6H4BBr3O2Zn — CID 175795604

IUPAC(2,3,4-tribromophenyl)boronic acid;zinc
SMILESOB(O)c1ccc(Br)c(Br)c1Br.[Zn]
InChIInChI=1S/C6H4BBr3O2.Zn/c8-4-2-1-3(7(11)12)5(9)6(4)10;/h1-2,11-12H;
InChIKeyGYVZENAQHBVTBM-UHFFFAOYSA-N
MW424.01 g/mol
LogP1.65
Rot. Bonds1

About (2,3,4-tribromophenyl)boronic acid;zinc

(2,3,4-tribromophenyl)boronic acid;zinc (PubChem CID 175795604) has the molecular formula C6H4BBr3O2Zn and a molecular weight of 424.01 g/mol. Its IUPAC name is (2,3,4-tribromophenyl)boronic acid;zinc.

Molecular Properties

Compound Name(2,3,4-tribromophenyl)boronic acid;zinc
PubChem CID175795604
Molecular FormulaC6H4BBr3O2Zn
Molecular Weight424.01 g/mol
Exact Mass419.71
IUPAC Name(2,3,4-tribromophenyl)boronic acid;zinc
SMILESOB(O)c1ccc(Br)c(Br)c1Br.[Zn]
InChIInChI=1S/C6H4BBr3O2.Zn/c8-4-2-1-3(7(11)12)5(9)6(4)10;/h1-2,11-12H;
InChIKeyGYVZENAQHBVTBM-UHFFFAOYSA-N
XLogP1.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.01
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,3,4-tribromophenyl)boronic acid;zinc?
The IUPAC name of (2,3,4-tribromophenyl)boronic acid;zinc (CID 175795604) is (2,3,4-tribromophenyl)boronic acid;zinc.
What is the SMILES notation for (2,3,4-tribromophenyl)boronic acid;zinc?
The canonical SMILES for (2,3,4-tribromophenyl)boronic acid;zinc is OB(O)c1ccc(Br)c(Br)c1Br.[Zn].
What is the InChIKey of (2,3,4-tribromophenyl)boronic acid;zinc?
The InChIKey is GYVZENAQHBVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BBr3O2.Zn/c8-4-2-1-3(7(11)12)5(9)6(4)10;/h1-2,11-12H;.
What are the key properties of (2,3,4-tribromophenyl)boronic acid;zinc?
(2,3,4-tribromophenyl)boronic acid;zinc has a molecular weight of 424.01 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-tribromophenyl)boronic acid;zinc is sourced from PubChem (CID 175795604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).