Cas no 115156-25-7 (Benzoic acid,2-amino-6-nitro-, ethyl ester)

Benzoic acid,2-amino-6-nitro-, ethyl ester structure
115156-25-7 structure
Product Name:Benzoic acid,2-amino-6-nitro-, ethyl ester
CAS No:115156-25-7
MF:C9H10N2O4
MW:210.186702251434
CID:130653
PubChem ID:20033751
Update Time:2025-04-19

Benzoic acid,2-amino-6-nitro-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,2-amino-6-nitro-, ethyl ester
    • Ethyl 2-amino-6-nitrobenzoate
    • 2-Amino-6-nitrobenzoic acid ethyl ester
    • Benzoic acid, 2-amino-6-nitro-, ethyl ester (9CI)
    • JJADRTXUDSBDON-UHFFFAOYSA-N
    • SCHEMBL10567759
    • 115156-25-7
    • FT-0767739
    • EN300-6511372
    • Inchi: 1S/C9H10N2O4/c1-2-15-9(12)8-6(10)4-3-5-7(8)11(13)14/h3-5H,2,10H2,1H3
    • InChI Key: JJADRTXUDSBDON-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1C(=CC=CC=1[N+](=O)[O-])N)=O

Computed Properties

  • Exact Mass: 210.0641
  • Monoisotopic Mass: 210.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 251
  • 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
  • Topological Polar Surface Area: 98.1A^2
  • XLogP3: 1.8

Experimental Properties

  • Density: 1.330
  • PSA: 98.14
  • LogP: 2.45810

Benzoic acid,2-amino-6-nitro-, ethyl ester Pricemore >>

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