CAS
957187-27-8 Purity
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957187-27-8 Purity
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3-Chloro-2-(4-morpholino)pyridine-4-boronic acid pinacol ester
CAS
957198-28-6
Catalog Number
ACM957198286
Category
Other Products
Molecular Weight
301.948
Molecular Formula
C15H22BClN2O3
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Specification
Synonyms
3-CHLORO-2-(4-MORPHOLINO)PYRIDINE-4-BORONIC ACID PINACOL ESTER;3-Chloro-2-(4-morpholino)pyridine-4-boronic acid;3-Chloro-2-(4-morphelino)pyridine-4-boronic acid pinacol ester
IUPAC Name
4-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C(=NC=C2)N3CCOCC3)Cl
InChI Key
ALVOSNAIBGPIGV-UHFFFAOYSA-N
Exact Mass
324.14100
H-Bond Acceptor
5
H-Bond Donor
0
What is the molecular formula of 3-Chloro-2-(4-morpholino)pyridine-4-boronic acid pinacol ester?
The molecular formula is C15H22BClN2O3.
When was 3-Chloro-2-(4-morpholino)pyridine-4-boronic acid pinacol ester created?
It was created on July 30, 2007.
What is the IUPAC name of the compound?
The IUPAC name is 4-[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]morpholine.
What is the InChIKey of 3-Chloro-2-(4-morpholino)pyridine-4-boronic acid pinacol ester?
The InChIKey is ALVOSNAIBGPIGV-UHFFFAOYSA-N.
How many Hydrogen Bond Acceptor Count does the compound have?
It has 5 Hydrogen Bond Acceptor Count.
What is the exact mass of the compound?
The exact mass is 324.1412004 g/mol.
How many rotatable bond counts does 3-Chloro-2-(4-morpholino)pyridine-4-boronic acid pinacol ester have?
It has 2 rotatable bond counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 43.8 2.
How many defined atom stereocenter count does the compound have?
It has 0 defined atom stereocenter count.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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