Structure

4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid

CAS
1451391-94-8
Catalog Number
ACM1451391948
Category
Boronic Acids

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What is the molecular formula of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The molecular formula is C8H7BBrFO4.

What is the PubChem CID of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The PubChem CID is 74890484.

What is the IUPAC name of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The IUPAC name is (4-bromo-2-fluoro-3-methoxycarbonylphenyl)boronic acid.

What is the InChI of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The InChI is InChI=1S/C8H7BBrFO4/c1-15-8(12)6-5(10)3-2-4(7(6)11)9(13)14/h2-3,13-14H,1H3.

What is the InChIKey of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The InChIKey is JWWWXGSGSHHRCJ-UHFFFAOYSA-N.

What is the molecular weight of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The molecular weight is 276.85 g/mol.

What is the hydrogen bond donor count of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The hydrogen bond donor count is 2.

What is the hydrogen bond acceptor count of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The hydrogen bond acceptor count is 5.

What is the rotatable bond count of 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid?

The rotatable bond count is 3.

Is 4-Bromo-3-ethoxycarbonyl-2-fuorophenylboronic acid the canonicalized form?

Yes, it is the canonicalized form.

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