Cas no 38713-61-0 (5-(benzyloxy)-2-nitrobenzonitrile)

5-(benzyloxy)-2-nitrobenzonitrile structure
38713-61-0 structure
Product Name:5-(benzyloxy)-2-nitrobenzonitrile
CAS No:38713-61-0
MF:C14H10N2O3
MW:254.24080324173
CID:1490871
PubChem ID:21824872
Update Time:2025-04-21

5-(benzyloxy)-2-nitrobenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-(benzyloxy)-2-nitrobenzonitrile
    • 2-nitro-5-phenylmethoxybenzonitrile
    • BENZONITRILE, 2-NITRO-5-(PHENYLMETHOXY)-
    • 5-phenyl-methoxy-2-nitrobenzonitrile
    • BENZONITRILE,2-NITRO-5-(PHENYLMETHOXY)
    • YPJNGWDUMUYHTH-UHFFFAOYSA-N
    • 5-benzyloxy-2-nitrobenzonitrile
    • SCHEMBL1336543
    • BS-28395
    • DA-06249
    • 38713-61-0
    • AKOS017548643
    • DTXSID90618512
    • Inchi: 1S/C14H10N2O3/c15-9-12-8-13(6-7-14(12)16(17)18)19-10-11-4-2-1-3-5-11/h1-8H,10H2
    • InChI Key: YPJNGWDUMUYHTH-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=C(C#N)C=1)[N+](=O)[O-])CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 254.06900
  • Monoisotopic Mass: 254.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 351
  • 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: 2.9
  • Topological Polar Surface Area: 78.8?2

Experimental Properties

  • PSA: 78.84000
  • LogP: 3.56868

5-(benzyloxy)-2-nitrobenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

5-(benzyloxy)-2-nitrobenzonitrile Pricemore >>

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