Cas no 954232-71-4 (2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine)

2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine structure
954232-71-4 structure
Product Name:2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine
CAS No:954232-71-4
MF:C6H6ClN3
MW:155.584939479828
MDL:MFCD17171437
CID:69667
PubChem ID:22308485
Update Time:2025-04-18

2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
    • 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine hydrochloride
    • 2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine
    • AKOS006327712
    • 954232-71-4
    • 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine, AldrichCPR
    • A845297
    • PB18999
    • CS-0054663
    • FT-0646766
    • AMY11456
    • AMMONIUMDIHYDROGENARSENATE
    • SCHEMBL18818489
    • DTXSID00624523
    • J-508925
    • 6,7-Dihydro-2-chloro-5H-pyrrolo[3,4-d]pyrimidine
    • DB-080238
    • MDL: MFCD17171437
    • Inchi: 1S/C6H6ClN3/c7-6-9-2-4-1-8-3-5(4)10-6/h2,8H,1,3H2
    • InChI Key: VJPICIAGVDFWEO-UHFFFAOYSA-N
    • SMILES: ClC1N=CC2=C(CNC2)N=1

Computed Properties

  • Exact Mass: 155.02500
  • Monoisotopic Mass: 155.0250249g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 130
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.1
  • Topological Polar Surface Area: 37.8?2

Experimental Properties

  • Density: 1.377
  • PSA: 37.81000
  • LogP: 1.06200

2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine Security Information

  • Hazard Category Code: 36
  • Safety Instruction: 26

2-chloro-5H,6H,7H-pyrrolo[3,4-d]pyrimidine Pricemore >>

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