Cas no 26477-33-8 (1H-Pyrrole, 2-methyl-5-nitro-)

1H-Pyrrole, 2-methyl-5-nitro- structure
1H-Pyrrole, 2-methyl-5-nitro- structure
Product Name:1H-Pyrrole, 2-methyl-5-nitro-
CAS No:26477-33-8
MF:C5H6N2O2
MW:126.113340854645
CID:3925316
PubChem ID:21819949
Update Time:2025-04-22

1H-Pyrrole, 2-methyl-5-nitro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole, 2-methyl-5-nitro-
    • SCHEMBL12778743
    • 26477-33-8
    • Inchi: 1S/C5H6N2O2/c1-4-2-3-5(6-4)7(8)9/h2-3,6H,1H3
    • InChI Key: RAGNYUFRPWEHQE-UHFFFAOYSA-N
    • SMILES: N1C([N+]([O-])=O)=CC=C1C

Computed Properties

  • Exact Mass: 126.042927438Da
  • Monoisotopic Mass: 126.042927438Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 0
  • Complexity: 121
  • 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: 1.3
  • Topological Polar Surface Area: 61.6?2
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