CAS
674776-54-6 Purity
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674776-54-6 Purity
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2,3-Difluorophenylboronic acid N-butyldiethanolamine ester
CAS
1190989-00-4
Catalog Number
ACM1190989004
Category
Boronic Esters
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What is the molecular formula of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The molecular formula is C14H20BF2NO2.
What is the PubChem CID of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The PubChem CID is 74889306.
When was 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester created?
It was created on July 1, 2014.
What is the IUPAC name of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The IUPAC name is 6-butyl-2-(2,3-difluorophenyl)-1,3,6,2-dioxazaborocane.
What is the InChI of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The InChI is InChI=1S/C14H20BF2NO2/c1-2-3-7-18-8-10-19-15(20-11-9-18)12-5-4-6-13(16)14(12)17/h4-6H,2-3,7-11H2,1H3.
What is the InChIKey of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The InChIKey is LITMYZDEPJJUNZ-UHFFFAOYSA-N.
What is the Canonical SMILES of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The Canonical SMILES is B1(OCCN(CCO1)CCCC)C2=C(C(=CC=C2)F)F.
What is the hydrogen bond donor count of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The hydrogen bond donor count is 0.
What is the hydrogen bond acceptor count of 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester?
The hydrogen bond acceptor count is 5.
Is 2,3-Difluorophenylboronic acid N-butyldiethanolamine ester a canonicalized compound?
Yes, it is a canonicalized compound.
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