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Methyl 5-chloropyrazine-2-carboxylate

Catalog Number: EVT-3159717

CAS Number: 33332-25-1

Molecular Formula: C6H5ClN2O2

Molecular Weight: 172.57 g/mol

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Product Introduction

Description

“Methyl 5-chloropyrazine-2-carboxylate” is a chemical compound with the molecular formula C6H5ClN2O2. It has a molecular weight of 172.57 g/mol.

Molecular Structure Analysis

The IUPAC name for this compound is "methyl 5-chloropyrazine-2-carboxylate". The InChI key is CVVMLRFXZPKILB-UHFFFAOYSA-N. The canonical SMILES representation is COC(=O)C1=CN=C(C=N1)Cl.

Physical And Chemical Properties Analysis

“Methyl 5-chloropyrazine-2-carboxylate” has a molecular weight of 172.57 g/mol. The compound has a computed XLogP3 value of 0.5, indicating moderate hydrophobicity. It has 0 hydrogen bond donors and 4 hydrogen bond acceptors.

Properties

CAS Number

33332-25-1

Product Name

Methyl 5-chloropyrazine-2-carboxylate

IUPAC Name

methyl 5-chloropyrazine-2-carboxylate

Molecular Formula

C6H5ClN2O2

Molecular Weight

172.57 g/mol

InChI

InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3

InChI Key

CVVMLRFXZPKILB-UHFFFAOYSA-N

SMILES

COC(=O)C1=CN=C(C=N1)Cl

Canonical SMILES

COC(=O)C1=CN=C(C=N1)Cl

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