4-Fluoro-2-methylphenylboronic acid pinacol ester

• Catalog Number: ACM815631562
• Product Name: 4-Fluoro-2-methylphenylboronic acid pinacol ester
• CAS: 815631-56-2
• Category: Boronic Esters
• Synonyms: BM293, 4-Fluoro-2-methylphenylboronic acid pinacol ester, 815631-56-2
• IUPAC Name: 2-(4-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• Molecular Weight: 236.09
• Molecular Formula: C₁₃H₁₈BFO₂
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)F)C
• InChI Key: HHWOQSZBVGPYMH-UHFFFAOYSA-N
• Boiling Point: 300.7ºC at 760 mmHg
• Melting Point: 61-64ºC
• Flash Point: 135.7ºC
• Density: 1.04g/cm³
• Exact Mass: 236.13800
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Q&A

What is the molecular formula of 4-Fluoro-2-methylphenylboronic acid pinacol ester?

The molecular formula is C13H18BFO2.

What is the PubChem CID of 4-Fluoro-2-methylphenylboronic acid pinacol ester?

The PubChem CID is 2759037.

What is the IUPAC name of 4-Fluoro-2-methylphenylboronic acid pinacol ester?

The IUPAC name is 2-(4-fluoro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the InChI of 4-Fluoro-2-methylphenylboronic acid pinacol ester?

The InChI is InChI=1S/C13H18BFO2/c1-9-8-10(15)6-7-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3.

What is the InChIKey of 4-Fluoro-2-methylphenylboronic acid pinacol ester?

The InChIKey is HHWOQSZBVGPYMH-UHFFFAOYSA-N.

What is the CAS number of 4-Fluoro-2-methylphenylboronic acid pinacol ester?

The CAS number is 815631-56-2.

What is the molecular weight of 4-Fluoro-2-methylphenylboronic acid pinacol ester?

The molecular weight is 236.09 g/mol.

How many hydrogen bond donor counts does 4-Fluoro-2-methylphenylboronic acid pinacol ester have?

It has zero hydrogen bond donor counts.

How many hydrogen bond acceptor counts does 4-Fluoro-2-methylphenylboronic acid pinacol ester have?

It has three hydrogen bond acceptor counts.

Is 4-Fluoro-2-methylphenylboronic acid pinacol ester a canonicalized compound?

Yes, it is a canonicalized compound according to PubChem.