Cas no 42854-99-9 (o-nitrobenzyloxycarbonyl chloride)

o-nitrobenzyloxycarbonyl chloride structure
42854-99-9 structure
Product Name:o-nitrobenzyloxycarbonyl chloride
CAS No:42854-99-9
MF:C8H6ClNO4
MW:215.590541362762
CID:2638354
PubChem ID:11020280
Update Time:2025-04-21

o-nitrobenzyloxycarbonyl chloride Chemical and Physical Properties

Names and Identifiers

    • o-nitrobenzyloxycarbonyl chloride
    • o-nitrobenzyl chloroformate;[(2-Nitrobenzyl)oxy]carbonyl chloride;nitrobenzyl chloroformate;[(2-Nitrobenzyl)oxy]chloroformate;o-nitrocarbobenzyloxy chloride;(chlorocarbonyloxymethyl)-2-nitrobenzene;
    • 2-nitrobenzyl carbonochloridate
    • 42854-99-9
    • PDWUDQKIQYSAEA-UHFFFAOYSA-N
    • SCHEMBL258506
    • o-nitrobenzyl chloroformate
    • Inchi: 1S/C8H6ClNO4/c9-8(11)14-5-6-3-1-2-4-7(6)10(12)13/h1-4H,5H2
    • InChI Key: PDWUDQKIQYSAEA-UHFFFAOYSA-N
    • SMILES: ClC(=O)OCC1C=CC=CC=1[N+](=O)[O-]

Computed Properties

  • Exact Mass: 214.99900
  • Monoisotopic Mass: 214.9985354Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 228
  • 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: 2.9
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • PSA: 72.12000
  • LogP: 2.99340
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