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CAS Number: 853058-42-1
ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate

Structure

ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
Name: ethyl 4-chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylate
Synonyms:
General Information
Product Number: 853058421
CAS Registry Number: 853058-42-1
Name:
5H-​Pyrrolo[3,​2-​d]​pyrimidine-​7-​carboxylic acid, 4-​chloro-​, ethyl ester
4-​Chloro-​5H-​pyrrolo[3,​2-​d]​pyrimidine-​7-​carboxylic acid ethyl ester; Ethyl 4-​chloro-​5H-​pyrrolo[3,​2-​d]​pyrimidine-​7-​carboxylate 
 
Chemical Formula: C9H8ClN3O2
Exact Mass: 225.03
Molecular Weight: 225.63
m/z: 225.03 (100.0%), 227.03 (32.5%), 226.03 (10.9%), 228.03 (3.2%)
Elemental Analysis: C, 47.91; H, 3.57; Cl, 15.71; N, 18.62; O, 14.18
 
InChI: InChI=1S/C9H8ClN3O2/c1-2-15-9(14)5-3-11-7-6(5)12-4-13-8(7)10/h3-4,11H,2H2,1H3
InChIKey: RJYXGAURZSGDON-UHFFFAOYSA-N
Canonical SMILES : CCOC(=O)C1=CNC2=C1N=CN=C2Cl

Specification

98%

References
  1. (1) Ham, Young Jin; Tetrahedron Letters 2010, V51(35), P4609-4611 CAPLUS
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