Cas no 918434-60-3 (Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester)

Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester structure
918434-60-3 structure
Product Name:Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester
CAS No:918434-60-3
MF:C16H13NO4
MW:283.278724431992
CID:775963
PubChem ID:71427168
Update Time:2025-04-19

Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-[(4-isocyanatophenoxy)methyl]-, methyl ester
    • methyl 4-[(4-isocyanatophenoxy)methyl]benzoate
    • SCHEMBL4886214
    • DTXSID60845914
    • 918434-60-3
    • Inchi: 1S/C16H13NO4/c1-20-16(19)13-4-2-12(3-5-13)10-21-15-8-6-14(7-9-15)17-11-18/h2-9H,10H2,1H3
    • InChI Key: VVAHBIAUKJKFCT-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(=CC=1)N=C=O)CC1C=CC(C(=O)OC)=CC=1

Computed Properties

  • Exact Mass: 283.08445790g/mol
  • Monoisotopic Mass: 283.08445790g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 6
  • Complexity: 376
  • 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: 4
  • Topological Polar Surface Area: 65?2
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