Cas no 62559-08-4 (4-tert-Butyl-1-methyl-2-nitrobenzene)

4-tert-Butyl-1-methyl-2-nitrobenzene structure
62559-08-4 structure
Product Name:4-tert-Butyl-1-methyl-2-nitrobenzene
CAS No:62559-08-4
MF:C11H15NO2
MW:193.242303133011
CID:440181
PubChem ID:10954415
Update Time:2025-04-19

4-tert-Butyl-1-methyl-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 4-tert-Butyl-1-methyl-2-nitrobenzene
    • Benzene, 4-(1,1-dimethylethyl)-1-methyl-2-nitro-
    • HRVZKMAFMMNKGU-UHFFFAOYSA-N
    • AN-584/43408174
    • AKOS006331279
    • CS-0205564
    • 62559-08-4
    • DTXSID90449621
    • 5-tert-Butyl-2-methylnitrobenzene
    • 4-tert-butyl-2-nitrotoluene
    • 4-tert-butyl-1-methyl-2-nitro-benzene
    • AS-0258
    • 2-nitro-4-t-butyltoluene
    • FT-0761939
    • SCHEMBL4089390
    • Inchi： 1S/C11H15NO2/c1-8-5-6-9(11(2,3)4)7-10(8)12(13)14/h5-7H,1-4H3
    • InChI Key： HRVZKMAFMMNKGU-UHFFFAOYSA-N
    • SMILES： [O-][N+](C1=C(C)C=CC(=C1)C(C)(C)C)=O

Computed Properties

  • Exact Mass: 193.11035
  • Monoisotopic Mass: 193.110278721g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 214
  • 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: 3.8
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 43.14

4-tert-Butyl-1-methyl-2-nitrobenzene Pricemore >>

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