Cas no 894789-50-5 (5-fluoro-1,2-benzoxazole-3-carboxylic acid)

5-fluoro-1,2-benzoxazole-3-carboxylic acid structure
894789-50-5 structure
Product Name:5-fluoro-1,2-benzoxazole-3-carboxylic acid
CAS No:894789-50-5
MF:C8H4FNO3
MW:181.120665550232
MDL:MFCD20659043
CID:1941802
PubChem ID:58678803
Update Time:2025-04-21

5-fluoro-1,2-benzoxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisoxazole-3-carboxylic acid, 5-fluoro-
    • 894789-50-5
    • Z1262557114
    • 5-fluoro-1,2-benzoxazole-3-carboxylicacid
    • AT29240
    • AKOS022911613
    • EN300-253824
    • SCHEMBL13576771
    • 5-fluoro-1,2-benzoxazole-3-carboxylic acid
    • MDL： MFCD20659043
    • Inchi： 1S/C8H4FNO3/c9-4-1-2-6-5(3-4)7(8(11)12)10-13-6/h1-3H,(H,11,12)
    • InChI Key： UVIKIZJWOLGNSL-UHFFFAOYSA-N
    • SMILES： FC1C=CC2=C(C=1)C(C(=O)O)=NO2

Computed Properties

  • Exact Mass: 181.01752115Da
  • Monoisotopic Mass: 181.01752115Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 223
  • 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: 1.7
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • Density: 1.6±0.1 g/cm3
  • Boiling Point: 382.6±22.0 °C at 760 mmHg
  • Flash Point: 185.2±22.3 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B440963-5mg
5-fluoro-1,2-benzoxazole-3-carboxylic acid
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 $ 50.00 2022-06-07
TRC
B440963-10mg
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 $ 95.00 2022-06-07
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 $ 320.00 2022-06-07
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 894789-50-5 95%
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 $1256.0 2023-11-13
Enamine
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Enamine
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 $5405.0 2023-11-13
Enamine
EN300-253824-0.05g
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 $293.0 2024-06-19
Enamine
EN300-253824-0.1g
5-fluoro-1,2-benzoxazole-3-carboxylic acid
 894789-50-5 95%
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 $437.0 2024-06-19
Enamine
EN300-253824-0.25g
5-fluoro-1,2-benzoxazole-3-carboxylic acid
 894789-50-5 95%
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 $623.0 2024-06-19
Enamine
EN300-253824-0.5g
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 $980.0 2024-06-19

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