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Structure

5-nitro-6-p-chlorophenylimidazo(2,1-b)thiazole

CAS
96125-77-8
Catalog Number
ACM96125778
Category
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What is the molecular formula of 5-nitro-6-p-chlorophenylimidazo(2,1-b)thiazole?

The molecular formula is C11H6ClN3O2S.

What is the molecular weight of the compound?

The molecular weight is 279.70 g/mol.

What is the IUPAC name of 5-nitro-6-p-chlorophenylimidazo(2,1-b)thiazole?

The IUPAC name is 6-(4-chlorophenyl)-5-nitroimidazo[2,1-b][1,3]thiazole.

What is the InChI of the compound?

The InChI is InChI=1S/C11H6ClN3O2S/c12-8-3-1-7(2-4-8)9-10(15(16)17)14-5-6-18-11(14)13-9/h1-6H.

What is the InChIKey of the compound?

The InChIKey is VRDXZMZDTCQVBV-UHFFFAOYSA-N.

What is the canonical SMILES representation of 5-nitro-6-p-chlorophenylimidazo(2,1-b)thiazole?

The canonical SMILES representation is C1=CC(=CC=C1C2=C(N3C=CSC3=N2)[N+](=O)[O-])Cl.

What are some synonyms of the compound?

Some synonyms include 106671-89-0, Imidazo(2,1-b)thiazole, 6-(p-chlorophenyl)-5-nitro, and NJ71XO4SC7.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 4.3.

How many hydrogen bond acceptors does 5-nitro-6-p-chlorophenylimidazo(2,1-b)thiazole have?

It has 4 hydrogen bond acceptors.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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