(3-bromo-5-trimethylsilylphenyl)boronic acid

C9H14BBrO2Si — CID 165347857

IUPAC(3-bromo-5-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cc(Br)cc(B(O)O)c1
InChIInChI=1S/C9H14BBrO2Si/c1-14(2,3)9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,1-3H3
InChIKeyRABMSIGRISWSIZ-UHFFFAOYSA-N
MW273.01 g/mol
LogP0.67
Rot. Bonds2

About (3-bromo-5-trimethylsilylphenyl)boronic acid

(3-bromo-5-trimethylsilylphenyl)boronic acid (PubChem CID 165347857) has the molecular formula C9H14BBrO2Si and a molecular weight of 273.01 g/mol. Its IUPAC name is (3-bromo-5-trimethylsilylphenyl)boronic acid.

Molecular Properties

Compound Name(3-bromo-5-trimethylsilylphenyl)boronic acid
PubChem CID165347857
Molecular FormulaC9H14BBrO2Si
Molecular Weight273.01 g/mol
Exact Mass272.00
IUPAC Name(3-bromo-5-trimethylsilylphenyl)boronic acid
SMILESC[Si](C)(C)c1cc(Br)cc(B(O)O)c1
InChIInChI=1S/C9H14BBrO2Si/c1-14(2,3)9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,1-3H3
InChIKeyRABMSIGRISWSIZ-UHFFFAOYSA-N
XLogP0.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.01
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (3-bromo-5-trimethylsilylphenyl)boronic acid?
The IUPAC name of (3-bromo-5-trimethylsilylphenyl)boronic acid (CID 165347857) is (3-bromo-5-trimethylsilylphenyl)boronic acid.
What is the SMILES notation for (3-bromo-5-trimethylsilylphenyl)boronic acid?
The canonical SMILES for (3-bromo-5-trimethylsilylphenyl)boronic acid is C[Si](C)(C)c1cc(Br)cc(B(O)O)c1.
What is the InChIKey of (3-bromo-5-trimethylsilylphenyl)boronic acid?
The InChIKey is RABMSIGRISWSIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BBrO2Si/c1-14(2,3)9-5-7(10(12)13)4-8(11)6-9/h4-6,12-13H,1-3H3.
What are the key properties of (3-bromo-5-trimethylsilylphenyl)boronic acid?
(3-bromo-5-trimethylsilylphenyl)boronic acid has a molecular weight of 273.01 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-trimethylsilylphenyl)boronic acid is sourced from PubChem (CID 165347857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).