Cas no 15024-11-0 (Benzoicacid, 4-nitro-, 4-methylphenyl ester)

Benzoicacid, 4-nitro-, 4-methylphenyl ester structure
15024-11-0 structure
Product Name:Benzoicacid, 4-nitro-, 4-methylphenyl ester
CAS No:15024-11-0
MF:C14H11NO4
MW:257.241443872452
CID:236993
PubChem ID:347154
Update Time:2025-04-19

Benzoicacid, 4-nitro-, 4-methylphenyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoicacid, 4-nitro-, 4-methylphenyl ester
    • 4-Nitro-benzoic acid p-tolyl ester
    • 15024-11-0
    • p-tolyl 4-nitrobenzoate
    • Oprea1_164414
    • Oprea1_695561
    • SR-01000395501
    • 4-methylphenyl 4-nitrobenzoate
    • AKOS000746693
    • SR-01000395501-1
    • SCHEMBL5696807
    • NSC405663
    • DTXSID40324075
    • NSC-405663
    • EU-0034240
    • Inchi: 1S/C14H11NO4/c1-10-2-8-13(9-3-10)19-14(16)11-4-6-12(7-5-11)15(17)18/h2-9H,1H3
    • InChI Key: VXCLPVZGTDMDND-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 257.06883
  • Monoisotopic Mass: 257.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 323
  • 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: 3.8
  • Topological Polar Surface Area: 72.1?2

Experimental Properties

  • Density: 1.28
  • Boiling Point: 409.7°Cat760mmHg
  • Flash Point: 181.9°C
  • Refractive Index: 1.605
  • PSA: 69.44
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