CAS
168618-42-6 Purity
98%
168618-42-6 Purity
98%
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3-Chloro-2-(morpholinomethyl)phenylboronic acid
CAS
1451393-01-3
Catalog Number
ACM1451393013
Category
Boronic Acids
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What is the IUPAC name of the compound?
The IUPAC name of the compound is [3-chloro-2-(morpholin-4-ylmethyl)phenyl]boronic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C11H15BClNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 255.51 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H15BClNO3/c13-11-3-1-2-10(12(15)16)9(11)8-14-4-6-17-7-5-14/h1-3,15-16H,4-8H2.
What is the InChIKey of the compound?
The InChIKey of the compound is NVCYJWADWXOQCF-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=C(C(=CC=C1)Cl)CN2CCOCC2)(O)O.
How many hydrogen bond donor count does the compound have?
The compound has 2 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 4 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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