Cas no 90561-94-7 (2-(4-bromophenyl)-2-nitropropane-1,3-diol)

2-(4-bromophenyl)-2-nitropropane-1,3-diol structure
90561-94-7 structure
Product Name:2-(4-bromophenyl)-2-nitropropane-1,3-diol
CAS No:90561-94-7
MF:C9H10BrNO4
MW:276.084002017975
MDL:MFCD00218498
CID:803427
PubChem ID:2783846
Update Time:2025-04-19

2-(4-bromophenyl)-2-nitropropane-1,3-diol Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol,2-(4-bromophenyl)-2-nitro-
    • 2-(P-BROMOPHENYL)-2-NITRO-1,3-PROPANEDIOL
    • AURORA KA-564
    • 2-(4-bromophenyl)-2-nitropropane-1,3-diol
    • EN300-9441941
    • 90561-94-7
    • MDL: MFCD00218498
    • Inchi: 1S/C9H10BrNO4/c10-8-3-1-7(2-4-8)9(5-12,6-13)11(14)15/h1-4,12-13H,5-6H2
    • InChI Key: NUDNCFJMKHVXDX-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)C(CO)(CO)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 274.97900
  • Monoisotopic Mass: 274.979
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 219
  • 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: 0.9
  • Topological Polar Surface Area: 86.3?2

Experimental Properties

  • PSA: 86.28000
  • LogP: 1.42890

2-(4-bromophenyl)-2-nitropropane-1,3-diol Pricemore >>

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