Cas no 4467-92-9 (Phenol,2,4-dinitro-6-octyl-)

Phenol,2,4-dinitro-6-octyl- structure
Phenol,2,4-dinitro-6-octyl- structure
Product Name:Phenol,2,4-dinitro-6-octyl-
CAS No:4467-92-9
MF:C14H20N2O5
MW:296.319004058838
CID:333561
PubChem ID:3014283
Update Time:2025-04-19

Phenol,2,4-dinitro-6-octyl- Chemical and Physical Properties

Names and Identifiers

    • Phenol,2,4-dinitro-6-octyl-
    • 2,4-dinitro-6-octylphenol
    • 4467-92-9
    • SCHEMBL1857493
    • DTXSID30196268
    • Phenol, 2,4-dinitro-6-octyl-
    • Inchi: 1S/C14H20N2O5/c1-2-3-4-5-6-7-8-11-9-12(15(18)19)10-13(14(11)17)16(20)21/h9-10,17H,2-8H2,1H3
    • InChI Key: XQJDAXOHZWCJFD-UHFFFAOYSA-N
    • SMILES: OC1C(=CC(=CC=1CCCCCCCC)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 296.1373
  • Monoisotopic Mass: 296.13722174g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 7
  • Complexity: 339
  • 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: 5.9
  • Topological Polar Surface Area: 112?2

Experimental Properties

  • PSA: 106.51
Recommended suppliers
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Inner Mongolia Xinhong Biological Technology Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Inner Mongolia Xinhong Biological Technology Co., Ltd
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk