Cas no 449181-21-9 (Isoxazole, 5-ethyl-3-(3-nitrophenyl)- (9CI))

Isoxazole, 5-ethyl-3-(3-nitrophenyl)- (9CI) structure
449181-21-9 structure
Product Name:Isoxazole, 5-ethyl-3-(3-nitrophenyl)- (9CI)
CAS No:449181-21-9
MF:C11H10N2O3
MW:218.20870256424
CID:929730
PubChem ID:12025689
Update Time:2025-04-19

Isoxazole, 5-ethyl-3-(3-nitrophenyl)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Isoxazole, 5-ethyl-3-(3-nitrophenyl)- (9CI)
    • ISOXAZOLE, 5-ETHYL-3-(3-NITROPHENYL)-
    • DB-287788
    • 449181-21-9
    • 5-Ethyl-3-(3-nitrophenyl)isoxazole
    • Inchi: 1S/C11H10N2O3/c1-2-10-7-11(12-16-10)8-4-3-5-9(6-8)13(14)15/h3-7H,2H2,1H3
    • InChI Key: VYLIXHPJIGVTTG-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C2C=CC=C(C=2)[N+](=O)[O-])=N1)CC

Computed Properties

  • Exact Mass: 218.06914219g/mol
  • Monoisotopic Mass: 218.06914219g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 254
  • 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: 2.7
  • Topological Polar Surface Area: 71.8?2
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