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5-Chloro-2-fluoro-4-methylpyridne-3-boronicacid

CAS
1072944-13-8
Catalog Number
ACM1072944138
Category
Boro-Amino Acids

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What is the molecular formula of the compound?

The molecular formula of the compound is C6H6BClFNO2.

What is the molecular weight of the compound?

The molecular weight of the compound is 189.38 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is (5-chloro-2-fluoro-4-methylpyridin-3-yl)boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H6BClFNO2/c1-3-4(8)2-10-6(9)5(3)7(11)12/h2,11-12H,1H3.

What is the InChIKey of the compound?

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

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is B(C1=C(C(=CN=C1F)Cl)C)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 1072944-13-8.

What is the DSSTox Substance ID of the compound?

The DSSTox Substance ID of the compound is DTXSID10660573.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count of the compound is 2.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count of the compound is 4.

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