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CAS Number: 22276-95-5
5-bromo-4-chloro-1H-pyrrolo[2,3-d]pyrimidine

Structure

5-bromo-4-chloro-1H-pyrrolo[2,3-d]pyrimidine
Name: 5-bromo-4-chloro-1H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 22276955
CAS Registry Number:
22276-95-5
Name:
7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-4-chloro-
5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine; 5-Bromo-4-chloropyrrolo[2,3-d]pyrimidine; NSC 103801 
 
Chemical Formula: C6H3BrClN3
Exact Mass: 230.92
Molecular Weight: 232.47
m/z: 232.92 (100.0%), 230.92 (77.3%), 234.91 (24.0%), 233.92 (6.5%), 231.92 (5.9%), 235.92 (1.6%), 233.91 (1.1%)
Elemental Analysis: C, 31.00; H, 1.30; Br, 34.37; Cl, 15.25; N, 18.08
 
InChI: InChI=1S/C6H3BrClN3/c7-3-1-9-6-4(3)5(8)10-2-11-6/h1-2H,(H,9,10,11)
InChIKey: OXLMTRZWMHIZBY-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=C(N1)N=CN=C2Cl)Br

Specification

98%

References
  1. (1) Seela, Frank; Helvetica Chimica Acta 1994, V77(4), P897-903 CAPLUS
  2. (2) Seela, Frank; Synthesis 2006, (12), P2005-2012 CAPLUS
  3. (3) Song, Yang; Synthesis 2011, (9), P1442-1446 CAPLUS
  4. (4) Voronkov, Michael V.; Tetrahedron Letters 2006, V47(25), P4149-4151 CAPLUS
  5. (5) Mitchell, Ian S.; WO 2005051304 A2 2005 CAPLUS
  6. (6) Pudlo, Jeffrey S.; Journal of Medicinal Chemistry 1988, V31(11), P2086-92 CAPLUS
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