Cas no 4097-50-1 (4-(2-Methylbutan-2-yl)-2,6-dinitrophenol)

4-(2-Methylbutan-2-yl)-2,6-dinitrophenol structure
4097-50-1 structure
Product Name:4-(2-Methylbutan-2-yl)-2,6-dinitrophenol
CAS No:4097-50-1
MF:C11H14N2O5
MW:254.239263057709
MDL:MFCD07787281
CID:334775
PubChem ID:228518
Update Time:2025-04-19

4-(2-Methylbutan-2-yl)-2,6-dinitrophenol Chemical and Physical Properties

Names and Identifiers

    • Phenol,4-(1,1-dimethylpropyl)-2,6-dinitro-
    • 4-(1,1-Dimethyl-propyl)-2,6-dinitro-phenol
    • 4-(2-methylbutan-2-yl)-2,6-dinitrophenol
    • 4-TERT-ANYL-2,6-DINITROPHENOL
    • 2,6-Dinitro-4-t-amylphenol
    • 2,6-Dinitro-4-tert.-amylphenol
    • 2,6-dinitro-4-tert-pentyl-phenol
    • 2.6-Dinitro-4-tert.-amyl-phenol
    • 2.6-Dinitro-4-tert.-pentyl-phenol
    • 3.5-Dinitro-4-hydroxy-1-tert.-pentyl-benzol
    • 3.5-Dinitro-4-oxy-1-tert.-amyl-benzol
    • 4-tert-amyl-2,6-dinitrophenol
    • AC1L5GAB
    • AC1Q5AKB
    • AR-1F5935
    • CTK4I4090
    • NSC21492
    • NSC78806
    • 2,6-Dinitro-4-(tert-pentyl)phenol
    • NSC 21492
    • DTXSID50281387
    • NSC-21492
    • A11543
    • AKOS015889838
    • AS-59651
    • NSC-78806
    • 4097-50-1
    • NSC 78806
    • 4-(2-Methylbutan-2-yl)-2,6-dinitrophenol
    • MDL: MFCD07787281
    • Inchi: 1S/C11H14N2O5/c1-4-11(2,3)7-5-8(12(15)16)10(14)9(6-7)13(17)18/h5-6,14H,4H2,1-3H3
    • InChI Key: BTFCDCNHRPIDHR-UHFFFAOYSA-N
    • SMILES: OC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)CC)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 254.09032
  • Monoisotopic Mass: 254.09027155g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 309
  • 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
  • Topological Polar Surface Area: 112
  • XLogP3: 4

Experimental Properties

  • PSA: 106.51
  • LogP: 3.94260

4-(2-Methylbutan-2-yl)-2,6-dinitrophenol Pricemore >>

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