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2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid

CAS
1451391-88-0
Catalog Number
ACM1451391880
Category
Boronic Acids

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What is the molecular formula of 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The molecular formula is C9H11BFNO3.

What is the molecular weight of 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The molecular weight is 211.00 g/mol.

What is the IUPAC name of 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The IUPAC name is [3-(dimethylcarbamoyl)-2-fluorophenyl]boronic acid.

What is the InChI of 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The InChI is InChI=1S/C9H11BFNO3/c1-12(2)9(13)6-4-3-5-7(8(6)11)10(14)15/h3-5,14-15H,1-2H3.

What is the InChIKey of 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The InChIKey is ICJWWRWLFPUVJI-UHFFFAOYSA-N.

What is the canonical SMILES of 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid?

The canonical SMILES is B(C1=C(C(=CC=C1)C(=O)N(C)C)F)(O)O.

How many hydrogen bond donor count does 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid have?

It has 2 hydrogen bond donor counts.

How many hydrogen bond acceptor count does 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond count does 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid have?

It has 2 rotatable bond counts.

Is 2-Fluoro-3-(N,N-dimethylaminocarbonyl)phenylboronic acid a canonicalized compound?

Yes, it is a canonicalized compound.

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