Cas no 83178-13-6 (2-methoxyethyl 4-amino-3-nitrobenzoate)

2-methoxyethyl 4-amino-3-nitrobenzoate structure
83178-13-6 structure
Product Name:2-methoxyethyl 4-amino-3-nitrobenzoate
CAS No:83178-13-6
MF:C10H12N2O5
MW:240.212682723999
CID:988591
PubChem ID:3019147
Update Time:2025-04-20

2-methoxyethyl 4-amino-3-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • 2-methoxyethyl 4-amino-3-nitrobenzoate
    • SCHEMBL10957478
    • Benzoic acid, 4-amino-3-nitro-, 2-methoxyethyl ester
    • EINECS 280-210-9
    • AKOS009086391
    • DTXSID701003183
    • 83178-13-6
    • NS00058998
    • DV9WJX4JFV
    • Z167838284
    • USJSCCZETRWEQE-UHFFFAOYSA-N
    • Inchi: 1S/C10H12N2O5/c1-16-4-5-17-10(13)7-2-3-8(11)9(6-7)12(14)15/h2-3,6H,4-5,11H2,1H3
    • InChI Key: USJSCCZETRWEQE-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=C(C=1)[N+](=O)[O-])N)=O)CCOC

Computed Properties

  • Exact Mass: 240.07462149g/mol
  • Monoisotopic Mass: 240.07462149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 278
  • 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: 0.9
  • Topological Polar Surface Area: 107?2

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