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CAS Number: 582313-57-3
4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine

Structure

4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
Name: 4-chloro-5-fluoro-7H-pyrrolo[2,3-d]pyrimidine
Synonyms:
General Information
Product Number: 582313573
CAS Registry Number:
582313-57-3
Name:
7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-fluoro-
1H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-5-fluoro- (9CI); 4-Chloro-5-fluoro-7H-pyrrolo[2,3-d]-pyrimidine 
 
Chemical Formula: C6H3ClFN3
Exact Mass: 171.00
Molecular Weight: 171.56
m/z: 171.00 (100.0%), 173.00 (32.0%), 172.00 (7.6%), 174.00 (2.1%)
Elemental Analysis: C, 42.01; H, 1.76; Cl, 20.67; F, 11.07; N, 24.49
 
InChI: InChI=1S/C6H3ClFN3/c7-5-4-3(8)1-9-6(4)11-2-10-5/h1-2H,(H,9,10,11)
InChIKey: OOBFPXOXHUBRDN-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=C(N1)N=CN=C2Cl)F
 

Specification

98%

References
  1. (1) Seela, Frank; Synthesis 2006, (12), P2005-2012 CAPLUS
  2. (2) Wang, Xiaojing; WO 2005016878 A2 2005 CAPLUS
  3. (3) Wang, Xiaojing; Nucleosides, Nucleotides & Nucleic Acids 2004, V23(1 & 2), P161-170 CAPLUS
  4. (4) Eldrup, Anne B.; Journal of Medicinal Chemistry 2004, V47(21), P5284-5297 CAPLUS
  5. (5) Suydam, Ian T.; Journal of the American Chemical Society 2008, V130(41), P13639-13648 CAPLUS
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