Cas no 95192-63-5 (Benzoic acid,2-methoxy-4,6-dinitro-)

Benzoic acid,2-methoxy-4,6-dinitro- structure
95192-63-5 structure
Product Name:Benzoic acid,2-methoxy-4,6-dinitro-
CAS No:95192-63-5
MF:C8H6N2O7
MW:242.14244222641
CID:799256
PubChem ID:2762954
Update Time:2025-04-19

Benzoic acid,2-methoxy-4,6-dinitro- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-methoxy-4,6-dinitro-
    • 2-METHOXY-4,6-DINITROBENZOIC ACID
    • 95192-63-5
    • CS-0321654
    • AKOS005600487
    • DTXSID50376606
    • FT-0748950
    • Inchi: 1S/C8H6N2O7/c1-17-6-3-4(9(13)14)2-5(10(15)16)7(6)8(11)12/h2-3H,1H3,(H,11,12)
    • InChI Key: MGQICJSVBWHOSN-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC(=CC(=C1C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Computed Properties

  • Exact Mass: 242.01800
  • Monoisotopic Mass: 242.018
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 2
  • Complexity: 334
  • 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: 0.2
  • Topological Polar Surface Area: 138A^2

Experimental Properties

  • Density: 1.618
  • Boiling Point: 453.9°Cat760mmHg
  • Flash Point: 228.3°C
  • Refractive Index: 1.625
  • PSA: 138.17000
  • LogP: 2.25620

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