CAS
957061-05-1 Purity
98%
957061-05-1 Purity
98%
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3-(2,5-Dimethylphenylcarbamoyl)phenylboronic acid
CAS
957061-00-6
Catalog Number
ACM957061006
Category
Boronic Acids
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What is the molecular formula of the compound?
The molecular formula of the compound is C15H16BNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 269.11 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3-[(2,5-dimethylphenyl)carbamoyl]phenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C15H16BNO3/c1-10-6-7-11(2)14(8-10)17-15(18)12-4-3-5-13(9-12)16(19)20/h3-9,19-20H,1-2H3,(H,17,18).
What is the InChIKey of the compound?
The InChIKey of the compound is VXKQWIGNLAJBGU-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is B(C1=CC(=CC=C1)C(=O)NC2=C(C=CC(=C2)C)C)(O)O.
How many hydrogen bond donor counts does the compound have?
The compound has 3 hydrogen bond donor counts.
What is the hydrogen bond acceptor count of the compound?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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