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Structure

2-(3-Fluoro-propoxy)-benzenebornic acid

CAS
958452-26-1
Catalog Number
ACM958452261
Category
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Specification

Synonyms
2-(3-Fluoro-propoxy)-benzenebornic acid
What is the molecular formula of the compound?

The molecular formula of the compound is C9H12BFO3.

What is the molecular weight of the compound?

The molecular weight of the compound is 198.00 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is [2-(3-fluoropropoxy)phenyl]boronic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C9H12BFO3/c11-6-3-7-14-9-5-2-1-4-8(9)10(12)13/h1-2,4-5,12-13H,3,6-7H2.

What is the InChIKey of the compound?

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

What is the Canonical SMILES of the compound?

The Canonical SMILES of the compound is B(C1=CC=CC=C1OCCCF)(O)O.

What is the CAS number of the compound?

The CAS number of the compound is 958452-26-1.

How many hydrogen bond donor counts are there in the compound?

There are 2 hydrogen bond donor counts in the compound.

How many hydrogen bond acceptor counts are there in the compound?

There are 4 hydrogen bond acceptor counts in the compound.

How many rotatable bond counts are there in the compound?

There are 5 rotatable bond counts in the compound.

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