4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

CAS Registry Number®

1346447-16-2
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CAS Name

4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Molecular Formula

C13H8ClN3O4S

Molecular Mass

337.74

Cite this Page

4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1346447-16-2 (retrieved 2024-07-08) (CAS RN: 1346447-16-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    176 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C13H8ClN3O4S/c14-11-9-6-10(13(18)19)17(12(9)16-7-15-11)22(20,21)8-4-2-1-3-5-8/h1-7H,(H,18,19)

InChIKey

InChIKey=IRHIFBDAGLUAEB-UHFFFAOYSA-N

SMILES

S(=O)(=O)(N1C=2C(C=C1C(O)=O)=C(Cl)N=CN2)C3=CC=CC=C3

Canonical SMILES

O=C(O)C1=CC=2C(Cl)=NC=NC2N1S(=O)(=O)C=3C=CC=CC3

Other Names for this Substance

  • 7H-Pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, 4-chloro-7-(phenylsulfonyl)-
  • 4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid