Cas no 90429-36-0 (Carbamic acid, (4-nitrophenyl)-, pentyl ester)

Carbamic acid, (4-nitrophenyl)-, pentyl ester structure
90429-36-0 structure
Product Name:Carbamic acid, (4-nitrophenyl)-, pentyl ester
CAS No:90429-36-0
MF:C12H16N2O4
MW:252.266443252563
CID:788784
PubChem ID:522949
Update Time:2025-04-19

Carbamic acid, (4-nitrophenyl)-, pentyl ester Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid, (4-nitrophenyl)-, pentyl ester
    • pentyl N-(4-nitrophenyl)carbamate
    • 90429-36-0
    • SCHEMBL8664039
    • p-Nitro carbanilic acid, n-pentyl ester
    • DTXSID80335120
    • Inchi: 1S/C12H16N2O4/c1-2-3-4-9-18-12(15)13-10-5-7-11(8-6-10)14(16)17/h5-8H,2-4,9H2,1H3,(H,13,15)
    • InChI Key: PAXRUOYAZXQGOI-UHFFFAOYSA-N
    • SMILES: O(C(NC1C=CC(=CC=1)[N+](=O)[O-])=O)CCCCC

Computed Properties

  • Exact Mass: 252.11100700g/mol
  • Monoisotopic Mass: 252.11100700g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 270
  • 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: 3.6
  • Topological Polar Surface Area: 84.2?2
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