3-tert-Butoxycarbonylphenylboronic acid

• Catalog Number: ACM220210560
• Product Name: 3-tert-Butoxycarbonylphenylboronic acid
• CAS: 220210-56-0
• Category: Boro-Amino Acids
• Synonyms: Benzoic acid, 3-borono-, 1-(1,1-diMethylethyl) ester
• IUPAC Name: [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid
• Molecular Weight: 222.05
• Molecular Formula: C11H15BO4
• Canonical SMILES: B(C1=CC(=CC=C1)C(=O)OC(C)(C)C)(O)O
• InChI: InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3
• InChI Key: HVJDVHCPCSZDSR-UHFFFAOYSA-N
• Boiling Point: 375.0±44.0 °C
• Melting Point: 96-102 °C
• Flash Point: 180.6ºC
• Density: 1.15±0.1 g/ml
• Appearance: white to light yellow crystal powder
• Exact Mass: 222.10600
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 4
• H-Bond Donor: 2
• Safety Description: 26-36/37/39

Custom Q&A

What is the molecular formula of 3-Tert-butoxycarbonylphenylboronic acid?

The molecular formula of 3-Tert-butoxycarbonylphenylboronic acid is C11H15BO4.

What is the molecular weight of 3-Tert-butoxycarbonylphenylboronic acid?

The molecular weight of 3-Tert-butoxycarbonylphenylboronic acid is 222.05 g/mol.

What is the IUPAC name of 3-Tert-butoxycarbonylphenylboronic acid?

The IUPAC name of 3-Tert-butoxycarbonylphenylboronic acid is [3-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]boronic acid.

What is the InChI of 3-Tert-butoxycarbonylphenylboronic acid?

The InChI of 3-Tert-butoxycarbonylphenylboronic acid is InChI=1S/C11H15BO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7,14-15H,1-3H3.

What is the InChIKey of 3-Tert-butoxycarbonylphenylboronic acid?

The InChIKey of 3-Tert-butoxycarbonylphenylboronic acid is HVJDVHCPCSZDSR-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Tert-butoxycarbonylphenylboronic acid?

The canonical SMILES of 3-Tert-butoxycarbonylphenylboronic acid is B(C1=CC(=CC=C1)C(=O)OC(C)(C)C)(O)O.

What is the CAS number of 3-Tert-butoxycarbonylphenylboronic acid?

The CAS number of 3-Tert-butoxycarbonylphenylboronic acid is 220210-56-0.

What is the EC number of 3-Tert-butoxycarbonylphenylboronic acid?

The EC number of 3-Tert-butoxycarbonylphenylboronic acid is 691-957-9.

What is the hydrogen bond donor count of 3-Tert-butoxycarbonylphenylboronic acid?

The hydrogen bond donor count of 3-Tert-butoxycarbonylphenylboronic acid is 2.

Is 3-Tert-butoxycarbonylphenylboronic acid a canonicalized compound?

Yes, 3-Tert-butoxycarbonylphenylboronic acid is a canonicalized compound.