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CAS Number: 175791-49-8
5-bromo-7H-pyrrolo[2,3-d]pyrimidine

Structure

5-bromo-7H-pyrrolo[2,3-d]pyrimidine
Name: 5-bromo-7H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 175791498
CAS Registry Number: 175791-49-8
Name:
        7H-​Pyrrolo[2,​3-​d]​pyrimidine, 5-​bromo-
        1H-​Pyrrolo[2,​3-​d]​pyrimidine, 5-​bromo- (9CI); 5-​Bromo-​7H-​pyrrolo[2,​3-​d]​pyrimidine 
 
Chemical Formula: C6H4BrN3
Exact Mass: 196.96
Molecular Weight: 198.02
m/z: 196.96 (100.0%), 198.96 (97.3%), 197.96 (7.6%), 199.96 (6.4%), 199.95 (1.1%)
Elemental Analysis: C, 36.39; H, 2.04; Br, 40.35; N, 21.22
 
InChI: InChI=1S/C6H4BrN3/c7-5-2-9-6-4(5)1-8-3-10-6/h1-3H,(H,8,9,10)
InChIKey: CMXNUWNEWCACQH-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=CN=CN=C2N1)Br

Specification

98%

References

PCT Int. Appl. (2012), WO 2012093101 A1 20120712.                                 

PCT Int. Appl. (2009), WO 2009080682 A1 20090702.                                  

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