5-Bromo-2,3-difluorophenol

CAS

186590-26-1

Catalog Number

ACM186590261

Category

Bromine Series

MSDS COA Spec Sheet

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What is the molecular formula of 5-Bromo-2,3-difluorophenol?

The molecular formula is C6H3BrF2O.

What is the molecular weight of 5-Bromo-2,3-difluorophenol?

The molecular weight is 208.99 g/mol.

What is the CAS number of 5-Bromo-2,3-difluorophenol?

The CAS number is 186590-26-1.

What is the IUPAC name of 5-Bromo-2,3-difluorophenol?

The IUPAC name is 5-bromo-2,3-difluorophenol.

What is the InChI of 5-Bromo-2,3-difluorophenol?

The InChI is InChI=1S/C6H3BrF2O/c7-3-1-4(8)6(9)5(10)2-3/h1-2,10H.

What is the InChIKey of 5-Bromo-2,3-difluorophenol?

The InChIKey is QAHCQGXGAYRHHW-UHFFFAOYSA-N.

What is the Canonical SMILES of 5-Bromo-2,3-difluorophenol?

The Canonical SMILES is C1=C(C=C(C(=C1O)F)F)Br.

What is the XLogP3-AA value of 5-Bromo-2,3-difluorophenol?

The XLogP3-AA value is 2.5.

How many hydrogen bond donor counts does 5-Bromo-2,3-difluorophenol have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 5-Bromo-2,3-difluorophenol have?

It has 3 hydrogen bond acceptor counts.

Downstream Synthesis Route 1

100-39-0
186590-26-1

1035155-54-4

Reference: [1]Current Patent Assignee: ROCHE HOLDING AG - WO2016/107832, 2016, A1
Location in patent: Page/Page column 56
[2]Current Patent Assignee: ROCHE HOLDING AG - WO2016/177655, 2016, A1
Location in patent: Page/Page column 83; 84
[3]Current Patent Assignee: GLAXOSMITHKLINE PLC - WO2008/77009, 2008, A1
Location in patent: Page/Page column 36
[4]Current Patent Assignee: SHANGHAI ZELGEN PHARMA TECH; SUZHOU ZELGEN BIOPHARMACEUTICAL CO LTD - CN112341455, 2021, A
Location in patent: Paragraph 0120; 0122; 0123; 0124