CAS
92600-11-8 Purity
96%
92600-11-8 Purity
96%
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4-Isoxazolecarbonitrile,5-[(3,5-dibromophenyl)amino]-2,3-dihydro-3-oxo-
CAS
926011-96-3
Catalog Number
ACM926011963
Category
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- Synthetic Use
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What is the molecular formula of the compound?
The molecular formula is C10H5Br2N3O2.
What are the synonyms of the compound?
The synonyms are 926011-96-3, CHEMBL231498, FT-0746345, and 4-Isoxazolecarbonitrile,5-[(3,5-dibromophenyl)amino]-2,3-dihydro-3-oxo-.
When was the compound created and last modified?
The compound was created on November 19, 2009, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 5-(3,5-dibromoanilino)-3-oxo-1,2-oxazole-4-carbonitrile.
What is the InChI of the compound?
The InChI is InChI=1S/C10H5Br2N3O2/c11-5-1-6(12)3-7(2-5)14-10-8(4-13)9(16)15-17-10/h1-3,14H,(H,15,16).
What is the InChIKey of the compound?
The InChIKey is JTQXYXHRSXAIRY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=C(C=C(C=C1Br)Br)NC2=C(C(=O)NO2)C#N.
What is the molecular weight of the compound?
The molecular weight is 358.97 g/mol.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
Is the compound's structure canonicalized?
Yes, the compound's structure is canonicalized according to PubChem.
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