3-Formamidophenylboronic acid pinacol ester

• CAS: 480425-37-4
• Catalog Number: ACM480425374
• Category: Other
• Molecular Weight: 247.1
• Molecular Formula: C₁₃H₁₈BNO₃
• Synonyms: 480425-37-4, N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide, 3-(Formylamino)phenylboronic acid pinacol ester, 3-Formamidophenylboronic acid pinacol ester, 3-formylaminophenylboronic acid, pinacol ester, N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)formamide, AC1MCNSK, 595209_ALDRICH, CTK4J0579, MolPort-000-158-608, ANW-43546, AKOS015960142, AB16139, AG-F-63465, OR11020, AK-94668, KB-32009, FT-0644732, A827439, 3-FORMAMIDOPHENYLBORONIC ACID, PINACOL ESTER
• IUPAC Name: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC=O
• InChI Key: NYDQNRBQQQKVKY-UHFFFAOYSA-N
• Boiling Point: 414.6ºC at 760mmHg
• Melting Point: 96-100ºC(lit.)
• Flash Point: 204.6ºC
• Density: 1.09g/cm³
• Exact Mass: 247.13800
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• WGK Germany: 3

Custom Q&A

What is the molecular formula of 3-Formamidophenylboronic acid pinacol ester?

The molecular formula is C13H18BNO3.

When was 3-Formamidophenylboronic acid pinacol ester created and modified?

It was created on July 19, 2005, and last modified on December 2, 2023.

What is the IUPAC name of 3-Formamidophenylboronic acid pinacol ester?

The IUPAC name is N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]formamide.

What is the InChI of 3-Formamidophenylboronic acid pinacol ester?

The InChI is InChI=1S/C13H18BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(8-10)15-9-16/h5-9H,1-4H3,(H,15,16).

What is the InChIKey of 3-Formamidophenylboronic acid pinacol ester?

The InChIKey is NYDQNRBQQQKVKY-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Formamidophenylboronic acid pinacol ester?

The canonical SMILES is B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC=O.

What is the molecular weight of 3-Formamidophenylboronic acid pinacol ester?

The molecular weight is 247.10 g/mol.

How many hydrogen bond donor counts does 3-Formamidophenylboronic acid pinacol ester have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 3-Formamidophenylboronic acid pinacol ester have?

It has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 3-Formamidophenylboronic acid pinacol ester have?

It has 2 rotatable bond counts.