Cas no 97234-97-4 (5-Bromo-4(3H)-pyrimidinonehemisulfate)

5-Bromo-4(3H)-pyrimidinonehemisulfate structure
97234-97-4 structure
Product Name:5-Bromo-4(3H)-pyrimidinonehemisulfate
CAS No:97234-97-4
MF:C4H5BrN2O5S
MW:273.061898946762
MDL:MFCD13195360
CID:839077
PubChem ID:56763835
Update Time:2024-10-25

5-Bromo-4(3H)-pyrimidinonehemisulfate Chemical and Physical Properties

Names and Identifiers

    • 5-Bromopyrimidin-4(3H)-one sulfate(2:1)
    • 5-bromo-1H-pyrimidin-6-one,sulfuric acid
    • 5-Bromo-4(3H)-pyrimidinone hemisulfate
    • 5-Bromo-4(3H)-pyrimidinonehemisulfate
    • 5-Bromopyrimidin-4(1H)-one sulfate(2:1)
    • C8H8Br2N4O6S
    • 5-Bromopyrimidin-4(1H)-one hemisulfate
    • AB0175108
    • AB0027915
    • W9821
    • Sulfuric acid--5-bromopyrimidin-4(3H)-one (1/2)
    • bis(5-bromo-1,4-dihydropyrimidin-4-one); sulfuric acid
    • bis(5-bromo-3,4-dihydropyrimidi
    • BIS(5-BROMO-3H-PYRIMIDIN-4-ONE); SULFURIC ACID
    • DTXSID20718276
    • SB60409
    • bis(5-bromo-3,4-dihydropyrimidin-4-one); sulfuric acid
    • 97234-97-4
    • DS-0746
    • 5-bromo-1H-pyrimidin-6-one;sulfuric acid
    • DB-080459
    • AKOS024258509
    • AKOS015919894
    • 5-Bromopyrimidin-4(3H)-onesulfate(2:1)
    • MFCD13195360
    • MDL: MFCD13195360
    • Inchi: 1S/C4H3BrN2O.H2O4S/c5-3-1-6-2-7-4(3)8;1-5(2,3)4/h1-2H,(H,6,7,8);(H2,1,2,3,4)
    • InChI Key: SITLVGGZTIJYCR-UHFFFAOYSA-N
    • SMILES: O=C1C(Br)=CN=CN1.O=S(O)(O)=O

Computed Properties

  • Exact Mass: 445.85300
  • Monoisotopic Mass: 445.85313g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 0
  • Complexity: 254
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 166

Experimental Properties

  • PSA: 174.48000
  • LogP: 1.49280

5-Bromo-4(3H)-pyrimidinonehemisulfate Pricemore >>

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