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915399-37-0 Purity
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915399-37-0 Purity
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3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid
CAS
915402-00-5
Catalog Number
ACM915402005
Category
Other Products
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What is the molecular formula of 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
The molecular formula is C8H8BF3O2S.
When was 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid created and modified?
It was created on 2007-11-16 and modified on 2023-12-30.
What is the IUPAC name of 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
The IUPAC name is [3-(2,2,2-trifluoroethylsulfanyl)phenyl]boronic acid.
What is the InChIKey of 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
The InChIKey is ORNQEDKTMCJEHC-UHFFFAOYSA-N.
What is the Canonical SMILES of 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
The Canonical SMILES is B(C1=CC(=CC=C1)SCC(F)(F)F)(O)O.
What is the exact mass of 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
The exact mass is 236.0290153 g/mol.
How many hydrogen bond donor counts are there in 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
There are 2 hydrogen bond donor counts.
What is the hydrogen bond acceptor count in 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
The hydrogen bond acceptor count is 6.
How many rotatable bond counts are there in 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid?
There are 3 rotatable bond counts.
Is 3-(2,2,2-Trifluoroethylthio)-benzeneboronic acid a canonicalized compound?
Yes, it is a canonicalized compound.
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