Cas no 38469-85-1 (2-methoxy-6-nitrobenzonitrile)

2-methoxy-6-nitrobenzonitrile structure
2-methoxy-6-nitrobenzonitrile structure
Product Name:2-methoxy-6-nitrobenzonitrile
CAS No:38469-85-1
MF:C8H6N2O3
MW:178.14484167099
MDL:MFCD00053607
CID:923531
PubChem ID:38048
Update Time:2025-04-19

2-methoxy-6-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-methoxy-6-nitrobenzonitrile
    • 2-nitro-6-methoxybenzonitrile
    • 1-cyano-2-methoxy-6-nitrobenzene
    • 2-Methoxy-6-nitro-benzonitril
    • 2-methoxy-6-nitro-benzonitrile
    • 6-methoxy-2-nitrobenzonitrile
    • 6-Nitro-2-methoxy-benzoesaeure-nitril
    • AC1L1YYW
    • BENZONITRILE, 2-METHOXY-6-NITRO-
    • BRN 2213299
    • EINECS 253-961-5
    • Methylaether-6-nitro-salicylsaeure-nitril
    • NSC27010
    • SureCN2416277
    • DB-069693
    • 2-Methoxy-6-nitrobenzonitril
    • NS00030400
    • SY285806
    • MFCD00053607
    • UNII-5XEV79VYJ3
    • 4-10-00-00267 (Beilstein Handbook Reference)
    • DTXSID40191789
    • AKOS006274089
    • AM20040339
    • 2-methoxy-6-nitro-benzenecarbonitrile
    • A824167
    • 38469-85-1
    • 5XEV79VYJ3
    • SCHEMBL2416277
    • NSC-27010
    • NSC 27010
    • DTXCID30114280
    • MDL: MFCD00053607
    • Inchi: 1S/C8H6N2O3/c1-13-8-4-2-3-7(10(11)12)6(8)5-9/h2-4H,1H3
    • InChI Key: ZHJPRHIYTNVTLI-UHFFFAOYSA-N
    • SMILES: O(C)C1C=CC=C(C=1C#N)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 178.03788
  • Monoisotopic Mass: 178.03784206g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 240
  • 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: 0.6
  • Topological Polar Surface Area: 78.8?2

Experimental Properties

  • PSA: 76.16
  • LogP: 1.99828

2-methoxy-6-nitrobenzonitrile Pricemore >>

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