CAS
914635-99-7 Purity
96%
914635-99-7 Purity
96%
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4-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzoic acid
CAS
914636-59-2
Catalog Number
ACM914636592
Category
Other Products
Molecular Weight
284.1908
Molecular Formula
C12H7F3N2O3
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Specification
Synonyms
4-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzoic acid, SBB052828, 914636-59-2, CTK7I8078, MolPort-001-777-919, AKOS011308545, AG-A-70779, KB-88068, 2-(4-Carboxyphenoxy)-4-(trifluoromethyl)pyrimidine, 4-[4-(trifluoromethyl)pyrimidin-2-yloxy]benzoic acid
IUPAC Name
4-[4-(trifluoromethyl)pyrimidin-2-yl]oxybenzoic acid
Canonical SMILES
C1=CC(=CC=C1C(=O)O)OC2=NC=CC(=N2)C(F)(F)F
InChI Key
HSYRXBMFGXXHBW-UHFFFAOYSA-N
Exact Mass
284.04100
H-Bond Acceptor
8
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 26986133?
The molecular formula of the compound is C12H7F3N2O3.
What is the synonym for the compound with PubChem CID 26986133?
One synonym for the compound is 4-{[4-(Trifluoromethyl)pyrimidin-2-yl]oxy}benzoic acid.
When was the compound with PubChem CID 26986133 created?
The compound was created on May 28, 2009.
What is the InChIKey for the compound with PubChem CID 26986133?
The InChIKey for the compound is HSYRXBMFGXXHBW-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound with PubChem CID 26986133 have?
The compound has 8 hydrogen bond acceptors.
What is the XLogP3-AA value for the compound with PubChem CID 26986133?
The XLogP3-AA value is 2.5.
What is the exact mass of the compound with PubChem CID 26986133?
The exact mass of the compound is 284.04087658 g/mol.
How many rotatable bond counts does the compound with PubChem CID 26986133 have?
The compound has 3 rotatable bond counts.
What is the topological polar surface area of the compound with PubChem CID 26986133?
The topological polar surface area is 72.3 Ų.
Is the compound with PubChem CID 26986133 canonicalized?
Yes, the compound is canonicalized.
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