CAS
91419-64-6 Purity
96%
91419-64-6 Purity
96%
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4-Isopropyl-5-pentafluoro-pyrimidine-5-carboxylic acid
CAS
914201-16-4
Catalog Number
ACM914201164
Category
Other Products
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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 C10H9F5N2O2.
When was the compound created and last modified?
The compound was created on December 5, 2007, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(1,1,2,2,2-pentafluoroethyl)-4-propan-2-ylpyrimidine-5-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H9F5N2O2/c1-4(2)6-5(7(18)19)3-16-8(17-6)9(11,12)10(13,14)15/h3-4H,1-2H3,(H,18,19).
What is the InChIKey of the compound?
The InChIKey of the compound is DUOWWEAVVNTNLQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)C1=NC(=NC=C1C(=O)O)C(C(F)(F)F)(F)F.
What is the molecular weight of the compound?
The molecular weight of the compound is 284.18 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 9 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 63.1 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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