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CAS Number: 655247-45-3
ethyl 3-chloropyrazine-2-carboxylate

Structure

ethyl 3-chloropyrazine-2-carboxylate
Name: ethyl 3-chloropyrazine-2-carboxylate
Synonyms:
General Information
Product Number: 655247453
CAS Registry Number: 655247-45-3
Name:
        2-​Pyrazinecarboxylic acid, 3-​chloro-​, ethyl ester
        Pyrazinecarboxylic acid, 3-​chloro-​, ethyl ester (9CI); Ethyl 3-​chloro-​2-​pyrazinecarboxylate 
 
Chemical Formula: C7H7ClN2O2
Exact Mass: 186.02
Molecular Weight: 186.60
m/z: 186.02 (100.0%), 188.02 (32.4%), 187.02 (8.4%), 189.02 (2.5%)
Elemental Analysis: C, 45.06; H, 3.78; Cl, 19.00; N, 15.01; O, 17.15
 
InChI: InChI=1S/C7H7ClN2O2/c1-2-12-7(11)5-6(8)10-4-3-9-5/h3-4H,2H2,1H3
InChIKey: AZNJBCHPEMMGOL-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=NC=CN=C1Cl

Specification

98%

References
  1. (1) WSS: Spectral data were obtained from Wiley Subscription Services, Inc. (US)
  2. (2) Holzer, Wolfgang; Magnetic Resonance in Chemistry 2009, V47(7), P617-624 CAPLUS
  3. (3) Pierre, Fabrice; Journal of Medicinal Chemistry 2011, V54(2), P635-654 CAPLUS
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