Cas no 1346447-16-2 (7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid)

7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid structure
1346447-16-2 structure
Product Name:7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CAS No:1346447-16-2
MF:C13H8ClN3O4S
MW:337.738320350647
MDL:MFCD20487118
CID:1076673
PubChem ID:71299079
Update Time:2025-04-20

7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylic acid
    • 7-(benzenesulfonyl)-4-chloropyrrolo[2,3-d]pyrimidine-6-carboxylic acid
    • 7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
    • 1346447-16-2
    • DTXSID10744286
    • PB13918
    • MFCD20487118
    • 4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid, AldrichCPR
    • 4-Chloro-7-(phenylsulfonyl)-7H-pyrrolo-[2,3-d]pyrimidine-6-carboxylicacid
    • CS-0054729
    • 4-CHLORO-7-(PHENYLSULFONYL)-7H-PYRROLO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
    • MDL: MFCD20487118
    • 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)
    • InChI Key: IRHIFBDAGLUAEB-UHFFFAOYSA-N
    • SMILES: ClC1=C2C=C(C(=O)O)N(C2=NC=N1)S(C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 336.9924046g/mol
  • Monoisotopic Mass: 336.9924046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 3
  • Complexity: 532
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 111?2

7-(benzenesulfonyl)-4-chloro-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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