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CAS Number: 1016241-80-7
4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Structure

4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Name: 4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Synonyms:
General Information
Product Number: 1016241807

CAS Registry Number 1016241-80-7
Name:
7H-​Pyrrolo[2,​3-​d]​pyrimidine-​6-​carboxylic acid, 4-​chloro-
4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

 

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/c8-5-3-1-4(7(12)13)11-6(3)10-2-9-5/h1-2H,(H,12,13)(H,9,10,11)

InChI Key:NXTZXTJRFVPNNX-UHFFFAOYSA-N

Canonical SMILES:C1=C(NC2=C1C(=NC=N2)Cl)C(=O)O

Specification

98%

References

PCT Int. Appl. (2011), WO 2011149827 A1 20111201.                                 

PCT Int. Appl. (2010), WO 2010101128 A1 20100910.

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