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4-Fluorophenylboronic acid N-butyldiethanolamine ester

CAS
1190988-96-5
Catalog Number
ACM1190988965
Category
Boronic Esters

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What is the molecular formula of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The molecular formula of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is C14H21BFNO2.

What is the molecular weight of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The molecular weight of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 265.13 g/mol.

What is the IUPAC name of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The IUPAC name of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 6-butyl-2-(4-fluorophenyl)-1,3,6,2-dioxazaborocane.

What is the InChI of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The InChI of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is InChI=1S/C14H21BFNO2/c1-2-3-8-17-9-11-18-15(19-12-10-17)13-4-6-14(16)7-5-13/h4-7H,2-3,8-12H2,1H3.

What is the InChIKey of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The InChIKey of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is RTMBRNKNEMBWDC-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The canonical SMILES of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is B1(OCCN(CCO1)CCCC)C2=CC=C(C=C2)F.

What is the hydrogen bond donor count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The hydrogen bond donor count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 0.

What is the hydrogen bond acceptor count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The hydrogen bond acceptor count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 4.

What is the rotatable bond count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester?

The rotatable bond count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 4.

Is 4-Fluorophenylboronic acid N-butyldiethanolamine ester a canonicalized compound?

Yes, 4-Fluorophenylboronic acid N-butyldiethanolamine ester is a canonicalized compound.

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