CAS Registry Number: 335654-06-3

Name:

7H-​Pyrrolo[2,​3-​d]​pyrimidine, 2-​chloro-
1H-​Pyrrolo[2,​3-​d]​pyrimidine, 2-​chloro- (9CI); 2-​Chloro-​1H-​pyrrolo[2,​3-​d]​pyrimidine; 2-​Chloro-​7H-​pyrrolo[2,​3-​d]​pyrimidine 

Chemical Formula: C6H4ClN3
Exact Mass: 153.01
Molecular Weight: 153.57
m/z: 153.01 (100.0%), 155.01 (32.0%), 154.01 (7.6%), 156.01 (2.1%)
Elemental Analysis: C, 46.93; H, 2.63; Cl, 23.09; N, 27.36

InChI: InChI=1S/C6H4ClN3/c7-6-9-3-4-1-2-8-5(4)10-6/h1-3H,(H,8,9,10)
InChIKey: HJOQGBBHVRYTDX-UHFFFAOYSA-N
Canonical SMILES : C1=CNC2=NC(=NC=C21)Cl

Specification

98%

1. (1) Nagashima, Shinya; Bioorganic & Medicinal Chemistry 2009, V17(19), P6926-6936 CAPLUS