CAS
1451391-63-1 Purity
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1451391-63-1 Purity
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4-Bromo-2-fluoropyridine-3-boronicacidpinacolester
CAS
1150561-79-7
Catalog Number
ACM1150561797-1
Category
Boronic Esters
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What is the molecular formula of the compound?
The molecular formula of the compound is C11H16BBrFNO3.
What is the molecular weight of the compound?
The molecular weight of the compound is 319.97 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is (4-bromo-2-fluoropyridin-3-yl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid.
What is the InChI code of the compound?
The InChI code of the compound is InChI=1S/C11H16BBrFNO3/c1-10(2,16)11(3,4)18-12(17)8-7(13)5-6-15-9(8)14/h5-6,16-17H,1-4H3.
What is the InChIKey of the compound?
The InChIKey of the compound is IDQSLJOHGUTHNC-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=C(C=CN=C1F)Br)(O)OC(C)(C)C(C)(C)O.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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