CAS Registry Number: 1019056-31-5

Name:

5H-​Pyrrolo[3,​2-​d]​pyrimidine-​7-​carboxylic acid, 4-​chloro-

Chemical Formula: C7H4ClN3O2
Exact Mass: 197.00
Molecular Weight: 197.58
m/z: 197.00 (100.0%), 199.00 (32.5%), 198.00 (8.8%), 200.00 (2.5%)

InChI: InChI=1S/C7H4ClN3O2/c8-6-5-4(10-2-11-6)3(1-9-5)7(12)13/h1-2,9H,(H,12,13)
InChIKey: SYUREEKHRDWOJX-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=C(N1)C(=NC=N2)Cl)C(=O)O

Specification

98%

Bioorganic & Medicinal Chemistry Letters (2013), 23(1), 218-222.