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Structure

methyl 3,5-diamino-6-chloropyrazine-2-carboxylate

CAS
1458-01-1
Catalog Number
ACM1458011
Category
Pyrazines
Molecular Weight
202.6
Molecular Formula
C6H7ClN4O2

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What is the IUPAC name of the compound?

The IUPAC name of the compound is methyl 3,5-diamino-6-chloropyrazine-2-carboxylate.

What is the molecular formula of the compound?

The molecular formula of the compound is C6H7ClN4O2.

What is the molecular weight of the compound?

The molecular weight of the compound is 202.60 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C6H7ClN4O2/c1-13-6(12)2-4(8)11-5(9)3(7)10-2/h1H3,(H4,8,9,11).

What is the InChIKey of the compound?

The InChIKey of the compound is KOOBYHRLTYIPTH-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is COC(=O)C1=C(N=C(C(=N1)Cl)N)N.

What is the CAS number of the compound?

The CAS number of the compound is 1458-01-1.

How many hydrogen bond donor atoms are there in the compound?

There are 2 hydrogen bond donor atoms in the compound.

How many hydrogen bond acceptor atoms are there in the compound?

There are 6 hydrogen bond acceptor atoms in the compound.

How many rotatable bonds are there in the compound?

There are 2 rotatable bonds in the compound.

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