CAS
958451-69-9 Purity
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958451-69-9 Purity
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4-Difluoromethoxy-3-methyl-benzeneboronic acid
CAS
958451-72-4
Catalog Number
ACM958451724
Category
Other Products
Molecular Weight
201.9630664
Molecular Formula
C8H9BF2O3
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Specification
Synonyms
4-difluoromethoxy-3-methyl-benzeneboronic acid
What is the IUPAC name of the compound?
The IUPAC name of the compound is [4-(difluoromethoxy)-3-methylphenyl]boronic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C8H9BF2O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 201.97 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H9BF2O3/c1-5-4-6(9(12)13)2-3-7(5)14-8(10)11/h2-4,8,12-13H,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is HNSXGLPRKOFDNV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC(=C(C=C1)OC(F)F)C)(O)O.
What is the CAS number of the compound?
The CAS number of the compound is 958451-72-4.
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 5 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 49.7 Ų.
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