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Structure

4-Chloro-3-(N,N-diethylcarbamoyl)phenylboronic acid

CAS
871332-68-2
Catalog Number
ACM871332682
Category
Other Products; Boronic Acids
Molecular Weight
255.51
Molecular Formula
C11H15BClNO3

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May 23, 2023


Has significant effect on the research of liquid crystal materials.
The lipid derivatives of 4-Chloro-3-(N,N-diethylcarbamoyl)phenylboronic acid show good stability and dielectric anisotropy, and can be used as liquid crystal display materials.

What is the molecular formula of this compound?

The molecular formula of this compound is C11H15BClNO3.

What is the molecular weight of this compound?

The molecular weight of this compound is 255.51 g/mol.

What is the IUPAC name of this compound?

The IUPAC name of this compound is [4-chloro-3-(diethylcarbamoyl)phenyl]boronic acid.

What is the InChI of this compound?

The InChI of this compound is InChI=1S/C11H15BClNO3/c1-3-14(4-2)11(15)9-7-8(12(16)17)5-6-10(9)13/h5-7,16-17H,3-4H2,1-2H3.

What is the InChIKey of this compound?

The InChIKey of this compound is JLDCVUGASMQNGS-UHFFFAOYSA-N.

What is the canonical SMILES of this compound?

The canonical SMILES of this compound is B(C1=CC(=C(C=C1)Cl)C(=O)N(CC)CC)(O)O.

What is the CAS number of this compound?

The CAS number of this compound is 871332-68-2.

What is the hydrogen bond donor count of this compound?

The hydrogen bond donor count of this compound is 2.

What is the hydrogen bond acceptor count of this compound?

The hydrogen bond acceptor count of this compound is 3.

Is this compound canonicalized?

Yes, this compound is canonicalized.

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