CAS
914207-57-1 Purity
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914207-57-1 Purity
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3-(3-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CAS
914212-32-1
Catalog Number
ACM914212321
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C14H8BrFN2O.
What are the synonyms of the compound?
The synonyms of the compound are 3-(3-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole, 914212-32-1, and DTXSID60424203.
What is the molecular weight of the compound?
The molecular weight of the compound is 319.13 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(3-bromophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C14H8BrFN2O/c15-11-3-1-2-10(8-11)13-17-14(19-18-13)9-4-6-12(16)7-5-9/h1-8H.
What is the InChIKey of the compound?
The InChIKey of the compound is ZNWXPEFFTNPUND-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)Br)C2=NOC(=N2)C3=CC=C(C=C3)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 4.3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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