4-Chloro-3-methoxyphenylboronic acid pinacol ester

• CAS: 627525-96-6
• Catalog Number: ACM627525966
• Category: Other Products; Boronic Esters
• Molecular Weight: 268.5
• Molecular Formula: C₁₃H₁₈BClO₃
• Synonyms: 627525-96-6, 2-(4-chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane, 4-Chloro-3-methoxyphenylboronic acid pinacol ester, SureCN858457, CTK8B6287, ANW-53218, AKOS015960323, RL04387, AK-94510, BD231418, KB-14771, A833971, 2-(4-chloranyl-3-methoxy-phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• IUPAC Name: 2-(4-chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)OC
• InChI Key: MPAOYOWXKCYTSJ-UHFFFAOYSA-N
• Exact Mass: 268.10400
• H-Bond Acceptor: 3
• H-Bond Donor: 0

Custom Reviews

May 23, 2023

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High efficient synthesis of probe molecules.
The molecule synthesized by 4-Chloro-3-methoxyphenylboronic acid pinacol ester and quinoline can detect hydrogen peroxide efficiently.

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C13H18BClO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 268.54 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 2-(4-chloro-3-methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)9-6-7-10(15)11(8-9)16-5/h6-8H,1-5H3.

What is the InChIKey of the compound?

The InChIKey of the compound is MPAOYOWXKCYTSJ-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)Cl)OC.

What is the CAS number of the compound?

The CAS number of the compound is 627525-96-6.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 0.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 3.

Is the compound canonicalized?

Yes, the compound is canonicalized.