CAS
912569-64-3 Purity
96%
912569-64-3 Purity
96%
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4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane
CAS
912569-68-7
Catalog Number
ACM912569687
Category
Other Products
Molecular Weight
310.199
Molecular Formula
C19H23BO3
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Specification
Synonyms
912569-68-7, 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane, CTK5G9139, MolPort-000-143-999, AG-H-74344, CC63639, KB-71760, 3-(Phenoxymethyl)benzeneboronic acid, pinacol ester
IUPAC Name
4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane
Canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)COC3=CC=CC=C3
InChI Key
AFDZGEOQKHIWKF-UHFFFAOYSA-N
Boiling Point
433.9ºC at 760 mmHg
Melting Point
76.5-77.5ºC
Flash Point
216.2ºC
Density
1.08g/cm³
Exact Mass
310.17400
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?
The molecular formula is C19H23BO3.
When was PubChem CID 24229702 created and last modified?
It was created on February 29, 2008, and last modified on December 30, 2023.
What is the IUPAC name of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?
The IUPAC name is 4,4,5,5-tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane.
What is the InChIKey of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?
The InChIKey is AFDZGEOQKHIWKF-UHFFFAOYSA-N.
How many hydrogen bond acceptor counts does 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane have?
It has 3 hydrogen bond acceptor counts.
What is the exact mass of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?
The exact mass is 310.1740248 g/mol.
How many rotatable bond counts does 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane have?
It has 4 rotatable bond counts.
What is the topological polar surface area of 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane?
The topological polar surface area is 27.7?2.
How many heavy atom counts does 4,4,5,5-Tetramethyl-2-[3-(phenoxymethyl)phenyl]-1,3,2-dioxaborolane have?
It has 23 heavy atom counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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