CAS
697739-42-7 Purity
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697739-42-7 Purity
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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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