Cas no 56741-98-1 (N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide)

N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide structure
56741-98-1 structure
Product Name:N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide
CAS No:56741-98-1
MF:C10H7BrN4O3
MW:311.091580629349
CID:945881
PubChem ID:135539628
Update Time:2025-04-19

N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide Chemical and Physical Properties

Names and Identifiers

    • N-(5-bromo-4-oxo-6-phenyl-1h-pyrimidin-2-yl)nitramide
    • 5-Brom-2-nitroamino-6-phenylpyrimidin-4(3H)-on
    • 5-bromo-2-nitroamino-6-phenyl-3H-pyrimidin-4-one
    • AC1L8HS3
    • NSC194265
    • 56741-98-1
    • NSC-194265
    • DTXSID70330109
    • Inchi: 1S/C10H7BrN4O3/c11-7-8(6-4-2-1-3-5-6)12-10(13-9(7)16)14-15(17)18/h1-5H,(H2,12,13,14,16)
    • InChI Key: XRUYFSBHCHITHR-UHFFFAOYSA-N
    • SMILES: BrC1C(NC(N[N+](=O)[O-])=NC=1C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 310.97804
  • Monoisotopic Mass: 309.97
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 435
  • 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: 1.8
  • Topological Polar Surface Area: 99.3?2

Experimental Properties

  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • PSA: 93.8
  • LogP: 2.81150
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