1309981-41-6 Purity
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The molecular formula of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is C14H21BFNO2.
The molecular weight of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 265.13 g/mol.
The IUPAC name of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 6-butyl-2-(4-fluorophenyl)-1,3,6,2-dioxazaborocane.
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.
The InChIKey of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is RTMBRNKNEMBWDC-UHFFFAOYSA-N.
The canonical SMILES of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is B1(OCCN(CCO1)CCCC)C2=CC=C(C=C2)F.
The hydrogen bond donor count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 0.
The hydrogen bond acceptor count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 4.
The rotatable bond count of 4-Fluorophenylboronic acid N-butyldiethanolamine ester is 4.
Yes, 4-Fluorophenylboronic acid N-butyldiethanolamine ester is a canonicalized compound.