3-Benzyloxycarbonyl-5-nitrophenylboronic acid

• CAS: 380430-62-6
• Catalog Number: ACM380430626
• Category: Boronic Acids
• Molecular Weight: 301.06
• Molecular Formula: C₁₄H₁₂BNO₆
• Synonyms: 380430-62-6, 3-Benzyloxycarbonyl-5-nitrophenylboronic acid, (3-Benzyloxycarbonyl-5-nitrophenyl)boronic acid, (3-nitro-5-phenylmethoxycarbonylphenyl)boronic acid, AC1MCMO2, ACMC-209ix5, SureCN4626752, (3-nitro-5-phenylmethoxycarbonyl-phenyl)boronic Acid, CTK4H9203, MolPort-001-759-444, ANW-28791, AKOS015839320, AB14284, AG-F-33889, OR10357, BENZYL 3-BORONO-5-NITROBENZOATE, AK-48852, KB-29939, N262, FT-0644547
• IUPAC Name: (3-nitro-5-phenylmethoxycarbonylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)(O)O
• InChI Key: YDPDKQXYZBUILB-UHFFFAOYSA-N
• Boiling Point: 537.1ºC at 760 mmHg
• Flash Point: 278.6ºC
• Density: 1.4g/cm³
• Exact Mass: 301.07600
• H-Bond Acceptor: 6
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

The molecular formula of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid is C14H12BNO6.

What is the IUPAC name of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

The IUPAC name of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid is (3-nitro-5-phenylmethoxycarbonylphenyl)boronic acid.

What is the InChI of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

The InChI of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid is InChI=1S/C14H12BNO6/c17-14(22-9-10-4-2-1-3-5-10)11-6-12(15(18)19)8-13(7-11)16(20)21/h1-8,18-19H,9H2.

What is the InChIKey of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

The InChIKey of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid is YDPDKQXYZBUILB-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

The canonical SMILES of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid is B(C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2)(O)O.

What is the CAS number of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

The CAS number of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid is 380430-62-6.

What is the molecular weight of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

The molecular weight of 3-Benzyloxycarbonyl-5-nitrophenylboronic acid is 301.06 g/mol.

How many hydrogen bond donor atoms are there in 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

There are 2 hydrogen bond donor atoms in 3-Benzyloxycarbonyl-5-nitrophenylboronic acid.

How many hydrogen bond acceptor atoms are there in 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

There are 6 hydrogen bond acceptor atoms in 3-Benzyloxycarbonyl-5-nitrophenylboronic acid.

How many rotatable bonds are there in 3-Benzyloxycarbonyl-5-nitrophenylboronic acid?

There are 5 rotatable bonds in 3-Benzyloxycarbonyl-5-nitrophenylboronic acid.