CAS
936250-23-6 Purity
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936250-23-6 Purity
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2-(2,2,2-trifluoro-ethoxy)-3,5-difluoro-benzeneboronic acid
CAS
936250-26-9
Catalog Number
ACM936250269
Category
Other Products
Molecular Weight
255.934456
Molecular Formula
C8H6BF5O3
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Specification
Synonyms
2-(2,2,2-trifluoro-ethoxy)-3,5-difluoro-benzeneboronic acid
What is the molecular formula of the compound?
The molecular formula of the compound is C8H6BF5O3.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [3,5-difluoro-2-(2,2,2-trifluoroethoxy)phenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H6BF5O3/c10-4-1-5(9(15)16)7(6(11)2-4)17-3-8(12,13)14/h1-2,15-16H,3H2.
What is the InChIKey of the compound?
The InChIKey of the compound is AZYREAMQJBZUHH-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC(=CC(=C1OCC(F)(F)F)F)F)(O)O.
What is the molecular weight of the compound?
The molecular weight of the compound is 255.94 g/mol.
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 8 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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