CAS
911227-46-8 Purity
96%
911227-46-8 Purity
96%
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3-Bromo-2-fluoropyridine-4-boronicacidpinacolester
CAS
1150561-78-6
Catalog Number
ACM1150561786-1
Category
Boronic Esters
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What is the molecular formula of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The molecular formula is C11H16BBrFNO3.
What is the molecular weight of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The molecular weight is 319.97 g/mol.
What is the IUPAC name of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The IUPAC name is (3-bromo-2-fluoropyridin-4-yl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid.
What is the InChI of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The InChI is InChI=1S/C11H16BBrFNO3/c1-10(2,16)11(3,4)18-12(17)7-5-6-15-9(14)8(7)13/h5-6,16-17H,1-4H3.
What is the InChIKey of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The InChIKey is ROIGYZBCZCPHEJ-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The canonical SMILES is B(C1=C(C(=NC=C1)F)Br)(O)OC(C)(C)C(C)(C)O.
What is the hydrogen bond donor count of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The hydrogen bond acceptor count is 5.
What is the rotatable bond count of 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester?
The rotatable bond count is 4.
Is 3-Bromo-2-fluoropyridine-4-boronic acid pinacol ester a canonicalized compound?
Yes, it is a canonicalized compound.
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