Cas no 850568-58-0 ((4-Benzyloxycarbonyl-2-nitro)phenylboronic acid)

(4-Benzyloxycarbonyl-2-nitro)phenylboronic acid structure
850568-58-0 structure
Product Name:(4-Benzyloxycarbonyl-2-nitro)phenylboronic acid
CAS No:850568-58-0
MF:C14H12BNO6
MW:301.059184074402
MDL:MFCD02179461
CID:720689
PubChem ID:3860203
Update Time:2025-04-19

(4-Benzyloxycarbonyl-2-nitro)phenylboronic acid Chemical and Physical Properties

Names and Identifiers

    • (4-Benzyloxycarbonyl-2-nitro)benzeneboronic acid
    • 4-Benzyloxycarbonyl-2-nitrobenzeneboronic acid
    • (2-nitro-4-phenylmethoxycarbonylphenyl)boronic acid
    • (4-Benzyloxycarbonyl-2-nitro)phenylboronic acid
    • 4-(Benzyloxycarbonyl)-2-nitrobenzeneboronic acid
    • (4-((Benzyloxy)carbonyl)-2-nitrophenyl)boronicacid
    • DTXSID10397473
    • BS-24169
    • {4-[(benzyloxy)carbonyl]-2-nitrophenyl}boronic acid
    • (4-((Benzyloxy)carbonyl)-2-nitrophenyl)boronic acid
    • CS-0175265
    • AB11182
    • MFCD02179461
    • 4-(benzyloxycarbonyl)-2-nitrophenylboronic acid
    • 850568-58-0
    • AKOS015893891
    • DB-017990
    • MDL: MFCD02179461
    • Inchi: 1S/C14H12BNO6/c17-14(22-9-10-4-2-1-3-5-10)11-6-7-12(15(18)19)13(8-11)16(20)21/h1-8,18-19H,9H2
    • InChI Key: WCPSHLUESXPJCV-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(B(O)O)=C(C=1)[N+](=O)[O-])=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 301.07600
  • Monoisotopic Mass: 301.076
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 393
  • 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: 113A^2

Experimental Properties

  • Density: 1.4
  • Melting Point: 192-200
  • Boiling Point: 533.3°C at 760 mmHg
  • Flash Point: 276.3°C
  • Refractive Index: 1.618
  • PSA: 112.58000
  • LogP: 1.15480
  • Vapor Pressure: 0.0±1.5 mmHg at 25°C

(4-Benzyloxycarbonyl-2-nitro)phenylboronic acid Security Information

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