Cas no 1339408-08-0 (Methyl 4-fluoro-3-methyl-5-nitrobenzoate)

Methyl 4-fluoro-3-methyl-5-nitrobenzoate structure
1339408-08-0 structure
Product Name:Methyl 4-fluoro-3-methyl-5-nitrobenzoate
CAS No:1339408-08-0
MF:C9H8FNO4
MW:213.162526130676
CID:2854965
PubChem ID:60150318
Update Time:2024-11-06

Methyl 4-fluoro-3-methyl-5-nitrobenzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-fluoro-3-methyl-5-nitrobenzoate
    • QQJTZMXOKYMWDT-UHFFFAOYSA-N
    • 1339408-08-0
    • CS-0337762
    • AKOS012512934
    • G68536
    • SCHEMBL16903073
    • Methyl 4-fluoro-3-methyl-5-nitrobenzoate
    • Inchi: 1S/C9H8FNO4/c1-5-3-6(9(12)15-2)4-7(8(5)10)11(13)14/h3-4H,1-2H3
    • InChI Key: QQJTZMXOKYMWDT-UHFFFAOYSA-N
    • SMILES: FC1=C(C=C(C(=O)OC)C=C1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 213.04373590g/mol
  • Monoisotopic Mass: 213.04373590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 265
  • 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: 2.1
  • Topological Polar Surface Area: 72.1

Methyl 4-fluoro-3-methyl-5-nitrobenzoate Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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1339408-08-0 97%
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