CAS
947532-58-3 Purity
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947532-58-3 Purity
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2-(Trifluoromethylthio)-benzeneboronic acid
CAS
947533-17-7
Catalog Number
ACM947533177
Category
Other Products
Molecular Weight
221.9925496
Molecular Formula
C7H6BF3O2S
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Specification
Synonyms
2-(trifluoromethylthio)-benzeneboronic acid
What is the IUPAC name of the compound?
The IUPAC name of the compound is [2-(trifluoromethylsulfanyl)phenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C7H6BF3O2S/c9-7(10,11)14-6-4-2-1-3-5(6)8(12)13/h1-4,12-13H.
What is the InChIKey of the compound?
The InChIKey of the compound is KSFRBBDVEFOBBU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC=CC=C1SC(F)(F)F)(O)O.
What is the molecular weight of the compound?
The molecular weight of the compound is 222.00 g/mol.
How many hydrogen bond donor count does the compound have?
The compound has 2 hydrogen bond donor count.
How many hydrogen bond acceptor count does the compound have?
The compound has 6 hydrogen bond acceptor count.
How many rotatable bond count does the compound have?
The compound has 2 rotatable bond count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 65.8 ?^2.
How many heavy atoms does the compound have?
The compound has 14 heavy atoms.
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