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Structure

2-Chloro-N-methyl-6-nitrobenzylamine

CAS
94108-15-3
Catalog Number
ACM94108153
Category
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What is the molecular formula of 2-Chloro-N-methyl-6-nitrobenzylamine?

The molecular formula is C8H9ClN2O2.

When was 2-Chloro-N-methyl-6-nitrobenzylamine created and modified according to PubChem?

It was created on 2005-08-08 and modified on 2023-12-30.

What is the IUPAC name of 2-Chloro-N-methyl-6-nitrobenzylamine?

The IUPAC name is 1-(2-chloro-6-nitrophenyl)-N-methylmethanamine.

What is the InChIKey for 2-Chloro-N-methyl-6-nitrobenzylamine?

The InChIKey is KLVFNRYOUGSYDE-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2-Chloro-N-methyl-6-nitrobenzylamine?

The canonical SMILES is CNCC1=C(C=CC=C1Cl)[N+](=O)[O-].

What is the molecular weight of 2-Chloro-N-methyl-6-nitrobenzylamine?

The molecular weight is 200.62 g/mol.

How many hydrogen bond donor counts are there in 2-Chloro-N-methyl-6-nitrobenzylamine?

There is 1 hydrogen bond donor count.

What is the topological polar surface area of 2-Chloro-N-methyl-6-nitrobenzylamine?

The topological polar surface area is 57.8 Ų.

How many rotatable bonds are there in 2-Chloro-N-methyl-6-nitrobenzylamine?

There are 2 rotatable bonds.

Is 2-Chloro-N-methyl-6-nitrobenzylamine a canonicalized compound according to PubChem?

Yes, it is a canonicalized compound.

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