CAS
93936-27-7 Purity
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93936-27-7 Purity
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2-Phenyl-4-trifluoromethyl-oxazole-5-carboxylic acid
CAS
939377-13-6
Catalog Number
ACM939377136
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 C11H6F3NO3.
What are the synonyms of the compound?
The synonyms of the compound are 2-phenyl-4-(trifluoromethyl)oxazole-5-carboxylic acid, 939377-13-6, 2-Phenyl-4-trifluoromethyl-oxazole-5-carboxylic acid, SCHEMBL2447220, and AT29310.
What is the molecular weight of the compound?
The molecular weight of the compound is 257.16 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-phenyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H6F3NO3/c12-11(13,14)8-7(10(16)17)18-9(15-8)6-4-2-1-3-5-6/h1-5H,(H,16,17).
What is the InChIKey of the compound?
The InChIKey of the compound is YCQANNGMRAJYEG-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C=C1)C2=NC(=C(O2)C(=O)O)C(F)(F)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
How many hydrogen bond donor counts does the compound have?
The compound has one hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has seven hydrogen bond acceptor counts.
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