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4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid

CAS
1451375-04-4
Catalog Number
ACM1451375044
Category
Boronic Acids

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What is the molecular formula of 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid?

The molecular formula is C9H8BF3O4.

What is the molecular weight of 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid?

The molecular weight is 247.97 g/mol.

What is the IUPAC name of 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid?

The IUPAC name is [4-methoxycarbonyl-3-(trifluoromethyl)phenyl]boronic acid.

What is the InChI key for 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid?

The InChI key is NPQVSVOCCSWALW-UHFFFAOYSA-N.

How many hydrogen bond donor counts does 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid have?

It has 2 hydrogen bond donor counts.

What is the hydrogen bond acceptor count of 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid?

It has 7 hydrogen bond acceptor counts.

What is the exact mass of 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid?

The exact mass is 248.0467734 g/mol.

How many rotatable bond counts does 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid have?

It has 3 rotatable bond counts.

What is the topological polar surface area of 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid?

The topological polar surface area is 66.8Ų.

Is 4-(Methoxycarbonyl)-3-(trifluoromethyl)phenylboronic acid considered canonicalized?

Yes, the compound is canonicalized.

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