3-Bromo-5-(methoxycarbonyl)phenylboronic acid

• CAS: 913835-87-7
• Catalog Number: ACM913835877
• Category: Boronic Acids
• Molecular Weight: 258.86172
• Molecular Formula: C8H8BBrO4
• Synonyms: 913835-87-7, Methyl 3-borono-5-bromobenzoate, 3-Bromo-5-(methoxycarbonyl)benzeneboronic acid, (3-Bromo-5-(methoxycarbonyl)phenyl)boronic acid, ACMC-209ra9, CTK5G9459, Methyl 3-borono-5-bromobenzoate,, MolPort-001-768-307, ANW-39631, OR3434, AKOS015833641, AB48266, AG-H-74958, AK-62112, KB-54073, FT-0687815, 3-bromo-5-(methoxycarbonyl)phenylboronic acid, B-4095, I01-10603, 3-BORONO-5-BROMO-BENZOIC ACID, 1-METHYL ESTER
• IUPAC Name: (3-bromo-5-methoxycarbonylphenyl)boronic acid
• Canonical SMILES: B(C1=CC(=CC(=C1)Br)C(=O)OC)(O)O
• InChI Key: CJSWOALHLRQFNX-UHFFFAOYSA-N
• Boiling Point: 410.9ºC at 760 mmHg
• Melting Point: 166-168ºC
• Flash Point: 202.3ºC
• Density: 1.65g/cm³
• Exact Mass: 257.97000
• Hazard Statements: Xi
• H-Bond Acceptor: 4
• H-Bond Donor: 2

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C8H8BBrO4.

What is the molecular weight of the compound?

The molecular weight of the compound is 258.86 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (3-bromo-5-methoxycarbonylphenyl)boronic acid.

What is the CAS number of the compound?

The CAS number of the compound is 913835-87-7.

How many hydrogen bond donor atoms are in the compound?

There are 2 hydrogen bond donor atoms in the compound.

How many hydrogen bond acceptor atoms are in the compound?

There are 4 hydrogen bond acceptor atoms in the compound.

How many rotatable bonds are in the compound?

There are 3 rotatable bonds in the compound.

What is the exact mass of the compound?

The exact mass of the compound is 257.96990 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 66.8Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.