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Structure

3-Chloro-4,5,6,7-tetrahydro-2H-indazole

CAS
933747-50-3
Catalog Number
ACM933747503
Category
Other Products
Molecular Formula
C7H9ClN2

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What is the molecular formula of 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

The molecular formula is C7H9ClN2.

What is the molecular weight of 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

The molecular weight is 156.61 g/mol.

What is the IUPAC name of 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

The IUPAC name is 3-chloro-4,5,6,7-tetrahydro-1H-indazole.

What is the InChI of 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

The InChI is InChI=1S/C7H9ClN2/c8-7-5-3-1-2-4-6(5)9-10-7/h1-4H2,(H,9,10).

What is the InChIKey of 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

The InChIKey is KJNWEGJBZDQEID-UHFFFAOYSA-N.

What is the canonical SMILES of 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

The canonical SMILES is C1CCC2=C(C1)C(=NN2)Cl.

How many hydrogen bond donor counts are there in 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

There is 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts are there in 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

There is 1 hydrogen bond acceptor count.

What is the topological polar surface area of 3-Chloro-4,5,6,7-tetrahydro-2H-indazole?

The topological polar surface area is 28.7 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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