CAS
944895-49-2 Purity
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944895-49-2 Purity
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3-(4-Fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid
CAS
944896-51-9
Catalog Number
ACM944896519
Category
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- Product Description
- Case Study
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H5FN2O3.
When was the compound created and last modified?
The compound was created on May 28, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylic acid.
What is the InChI key of the compound?
The InChI key of the compound is GEJDGJSXCYEQQY-UHFFFAOYSA-N.
What is the canonical SMILES notation of the compound?
The canonical SMILES notation of the compound is C1=CC(=CC=C1C2=NOC(=N2)C(=O)O)F.
What is the molecular weight of the compound?
The molecular weight of the compound is 208.15 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 76.2 Ų.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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