Cas no 668969-70-8 (Ethyl 5-BromobenzoDIsoxazole-3-Carboxylate)

Ethyl 5-BromobenzoDIsoxazole-3-Carboxylate structure
668969-70-8 structure
Product Name:Ethyl 5-BromobenzoDIsoxazole-3-Carboxylate
CAS No:668969-70-8
MF:C10H8BrNO3
MW:270.07942199707
MDL:MFCD11045247
CID:68578
PubChem ID:57352439
Update Time:2025-04-18

Ethyl 5-BromobenzoDIsoxazole-3-Carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-bromobenzo[d]isoxazole-3-carboxylate
    • 5-Bromo-1,2-benzisoxazole-3-carboxylic acid ethyl ester
    • 1,2- Benzisoxazole-3-carboxylic acid, 5-bromo-, ethyl ester
    • ethyl 5-bromo-1,2-benzoxazole-3-carboxylate
    • ETHYL 5-BROMOBENZO(D)ISOXAZOLE-3-CARBOXYLATE
    • ethyl 5-bromo-1,2-benzisoxazol-3-carboxylate
    • ethyl 5-bromo-1,2-benzisoxazole-3-carboxylate
    • 5-Bromo-benzo[d]isoxazole-3-carboxylic acid ethyl ester
    • 668969-70-8
    • SB38220
    • DTXSID20722515
    • SCHEMBL1965601
    • MUPVRXDZBSEYKC-UHFFFAOYSA-N
    • A923747
    • CS-0145335
    • EN300-254753
    • Z1509515925
    • MFCD11045247
    • Ethyl5-bromobenzo[d]isoxazole-3-carboxylate
    • Ethyl 5-BromobenzoDIsoxazole-3-Carboxylate
    • MDL: MFCD11045247
    • Inchi: 1S/C10H8BrNO3/c1-2-14-10(13)9-7-5-6(11)3-4-8(7)15-12-9/h3-5H,2H2,1H3
    • InChI Key: MUPVRXDZBSEYKC-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)C(C(=O)OCC)=NO2

Computed Properties

  • Exact Mass: 268.96900
  • Monoisotopic Mass: 268.96876g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 249
  • 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: 3
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • Density: 1.587
  • Boiling Point: 361.3 °C at 760 mmHg
  • Flash Point: 361.3 °C at 760 mmHg
  • Refractive Index: 1.604
  • PSA: 52.33000
  • LogP: 2.76700

Ethyl 5-BromobenzoDIsoxazole-3-Carboxylate Pricemore >>

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