CAS
1451391-62-0 Purity
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1451391-62-0 Purity
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4-Bromo-2-fluorophenylboronic acid N-butyldiethanolamine ester
CAS
1451391-63-1
Catalog Number
ACM1451391631
Category
Boronic Esters
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What is the molecular formula of the compound?
The molecular formula of the compound is C14H20BBrFNO2.
What is the molecular weight of the compound?
The molecular weight of the compound is 344.03 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(4-bromo-2-fluorophenyl)-6-butyl-1,3,6,2-dioxazaborocane.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C14H20BBrFNO2/c1-2-3-6-18-7-9-19-15(20-10-8-18)13-5-4-12(16)11-14(13)17/h4-5,11H,2-3,6-10H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is HVYLUBDCXFHYEM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B1(OCCN(CCO1)CCCC)C2=C(C=C(C=C2)Br)F.
What is the CAS number of the compound?
The CAS number of the compound is 1451391-63-1.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
What is the hydrogen bond acceptor count of the compound?
The hydrogen bond acceptor count of the compound is 4.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 21.7Ų.
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