Cas no 850568-37-5 (3-Ethoxycarbonyl-5-nitrophenylboronic acid)

3-Ethoxycarbonyl-5-nitrophenylboronic acid structure
850568-37-5 structure
Product Name:3-Ethoxycarbonyl-5-nitrophenylboronic acid
CAS No:850568-37-5
MF:C9H10BNO6
MW:238.989802837372
MDL:MFCD03788422
CID:720694
PubChem ID:2773402
Update Time:2024-12-09

3-Ethoxycarbonyl-5-nitrophenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (3-Ethoxycarbonyl-5-nitrophenyl)boronic acid
    • 3-(Ethoxycarbonyl)-5-nitrobenzeneboronic acid
    • 3-Ethoxycarbonyl-5-nitrophenylboronic acid
    • 1-Ethyl 3-borono-5-nitrobenzoate (ACI)
    • [3-(Ethoxycarbonyl)-5-nitrophenyl]boronic acid
    • MFCD03788422
    • DB-010579
    • STR08853
    • W16747
    • J-512413
    • (3-Ethoxycarbonyl-5-nitrophenyl)boronicacid
    • DTXSID40378437
    • 3-(ethoxycarbonyl)-5-nitrophenylboronic acid
    • AKOS015838799
    • SCHEMBL6651446
    • (3-(ethoxycarbonyl)-5-nitrophenyl)boronic acid
    • CS-W012832
    • 850568-37-5
    • AB15995
    • MDL： MFCD03788422
    • Inchi： 1S/C9H10BNO6/c1-2-17-9(12)6-3-7(10(13)14)5-8(4-6)11(15)16/h3-5,13-14H,2H2,1H3
    • InChI Key： JTIBFRZYCUDXOK-UHFFFAOYSA-N
    • SMILES： O=C(C1C=C([N+](=O)[O-])C=C(B(O)O)C=1)OCC

Computed Properties

  • Exact Mass: 239.06000
  • Monoisotopic Mass: 239.0601172g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 5
  • Complexity: 292
  • 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: 113?2

Experimental Properties

  • Melting Point: 158-163°C
  • PSA: 112.58000
  • LogP: -0.02550

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
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(3-Ethoxycarbonyl-5-nitrophenyl)boronic acid
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ChemScence
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Matrix Scientific
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Fluorochem
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 ￡600.00 2022-02-28
TRC
E895020-100mg
3-Ethoxycarbonyl-5-nitrophenylboronic acid
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TRC
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