4-(Isobutylaminocarbonyl)phenylboronic acid

• CAS: 850568-13-7
• Catalog Number: ACM850568137
• Category: Boronic Acids
• Molecular Weight: 221.06
• Molecular Formula: C₁₁H₁₆BNO₃
• Synonyms: 850568-13-7, 4-(Isobutylaminocarbonyl)phenylboronic acid, 4-(Isobutylaminocarbonyl)benzeneboronic acid, 4-(Isobutylcarbamoyl)benzeneboronic acid, (4-(Isobutylcarbamoyl)phenyl)boronic acid, ACMC-209q1d, SureCN202451, AC1MCN02, [4-(2-methylpropylcarbamoyl)phenyl]boronic Acid, CTK5F3944, MolPort-001-759-509, 4-BORONO-N-ISOBUTYLBENZAMIDE, N-ISOBUTYL 4-BORONOBENZAMIDE, ANW-38015, AKOS015837550, AB14330, AG-H-41249, OR10518, AK-61974, KB-34992
• IUPAC Name: [4-(2-methylpropylcarbamoyl)phenyl]boronic acid
• Canonical SMILES: B(C1=CC=C(C=C1)C(=O)NCC(C)C)(O)O
• InChI Key: DUBSEAOPNSRHHN-UHFFFAOYSA-N
• Melting Point: 206-216ºC
• Density: 1.13g/cm³
• Exact Mass: 221.12200
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 3
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 4-(Isobutylaminocarbonyl)phenylboronic acid?

The molecular formula is C11H16BNO3.

When was 4-(Isobutylaminocarbonyl)phenylboronic acid created according to PubChem?

It was created on July 19, 2005.

What is the molecular weight of 4-(Isobutylaminocarbonyl)phenylboronic acid?

The molecular weight is 221.06 g/mol.

What is the IUPAC name of 4-(Isobutylaminocarbonyl)phenylboronic acid?

The IUPAC name is [4-(2-methylpropylcarbamoyl)phenyl]boronic acid.

What is the InChI of 4-(Isobutylaminocarbonyl)phenylboronic acid?

The InChI is InChI=1S/C11H16BNO3/c1-8(2)7-13-11(14)9-3-5-10(6-4-9)12(15)16/h3-6,8,15-16H,7H2,1-2H3,(H,13,14).

How many hydrogen bond donor counts does 4-(Isobutylaminocarbonyl)phenylboronic acid have?

It has 3 hydrogen bond donor counts.

What is the exact mass of 4-(Isobutylaminocarbonyl)phenylboronic acid?

The exact mass is 221.1223235 g/mol.

How many rotatable bond counts does 4-(Isobutylaminocarbonyl)phenylboronic acid have?

It has 4 rotatable bond counts.

What is the topological polar surface area of 4-(Isobutylaminocarbonyl)phenylboronic acid?

The topological polar surface area is 69.6 Ų.

Is the compound 4-(Isobutylaminocarbonyl)phenylboronic acid canonicalized according to PubChem?

Yes, the compound is canonicalized.