CAS
9050-97-9 Purity
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9050-97-9 Purity
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5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole
CAS
905107-54-2
Catalog Number
ACM905107542
Category
Other Products
Molecular Formula
C9H5Cl2N3O3
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What is the molecular formula of the compound?
The molecular formula of the compound is C9H5Cl2N3O3.
What is the molecular weight of the compound?
The molecular weight of the compound is 274.06 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(dichloromethyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H5Cl2N3O3/c10-7(11)9-12-8(13-17-9)5-2-1-3-6(4-5)14(15)16/h1-4,7H.
What is the InChIKey of the compound?
The InChIKey of the compound is JYOMJJFPJLSWKA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC(=N2)C(Cl)Cl.
What is the CAS number of the compound?
The CAS number of the compound is 905107-54-2.
What is the EPA DSSTox Substance ID of the compound?
The EPA DSSTox Substance ID of the compound is DTXSID50674977.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.8.
Is the compound a canonicalized compound?
Yes, the compound is canonicalized.
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