Cas no 438565-35-6 ((3-(3-Nitrophenyl)isoxazol-5-yl)methanol)

(3-(3-Nitrophenyl)isoxazol-5-yl)methanol structure
438565-35-6 structure
Product Name:(3-(3-Nitrophenyl)isoxazol-5-yl)methanol
CAS No:438565-35-6
MF:C10H8N2O4
MW:220.181522369385
CID:92861
PubChem ID:11160322
Update Time:2025-04-18

(3-(3-Nitrophenyl)isoxazol-5-yl)methanol Chemical and Physical Properties

Names and Identifiers

    • [3-(3-Nitro-phenyl)-isoxazol-5-yl]-methanol
    • [3-(3-Nitrophenyl)-1,2-oxazol-5-yl]methanol
    • 3-(3-nitrophenyl)-5-Isoxazolemethanol
    • 3-(3-nitrophenyl)-isoxazol-5-ylmethanol
    • FT-0726082
    • DTXSID70457269
    • 438565-35-6
    • (3-(3-NITROPHENYL)ISOXAZOL-5-YL)METHANOL
    • (3-(3-Nitrophenyl)isoxazol-5-yl)methanol
    • MDL: MFCD11845397
    • Inchi: 1S/C10H8N2O4/c13-6-9-5-10(11-16-9)7-2-1-3-8(4-7)12(14)15/h1-5,13H,6H2
    • InChI Key: XYRUMJFRFUSYEP-UHFFFAOYSA-N
    • SMILES: O1C(CO)=CC(C2C=CC=C(C=2)[N+](=O)[O-])=N1

Computed Properties

  • Exact Mass: 220.04840674g/mol
  • Monoisotopic Mass: 220.04840674g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 256
  • 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: 1
  • Topological Polar Surface Area: 92.1?2

Experimental Properties

  • PSA: 92.08000
  • LogP: 2.26530

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