Cas no 144650-00-0 (5-bromo-2-methoxybenzene-1-carboximidamide)

5-bromo-2-methoxybenzene-1-carboximidamide structure
144650-00-0 structure
Product Name:5-bromo-2-methoxybenzene-1-carboximidamide
CAS No:144650-00-0
MF:C8H9BrN2O
MW:229.073860883713
CID:1315406
PubChem ID:10353755
Update Time:2025-04-20

5-bromo-2-methoxybenzene-1-carboximidamide Chemical and Physical Properties

Names and Identifiers

    • Benzenecarboximidamide, 5-bromo-2-methoxy-
    • 2-(3,4,5-Trimethoxyphenyl)-4H-chromen-4-one
    • 5-bromo-2-methoxybenzene-1-carboximidamide
    • 144650-00-0
    • 5-Bromo-2-methoxy-benzamidine
    • 5-Bromo-2-methoxybenzimidamide
    • 5-BROMO-2-METHOXYBENZAMIDINE
    • EN300-1895454
    • IKUQTZCCTIUKGQ-UHFFFAOYSA-N
    • 5-bromo-2-methoxybenzenecarboximidamide
    • SCHEMBL3917916
    • CS-0302212
    • MDL: MFCD09999763
    • Inchi: 1S/C8H9BrN2O/c1-12-7-3-2-5(9)4-6(7)8(10)11/h2-4H,1H3,(H3,10,11)
    • InChI Key: IKUQTZCCTIUKGQ-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(=N)N)C=1)OC

Computed Properties

  • Exact Mass: 227.98987
  • Monoisotopic Mass: 227.98983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 1.5
  • Topological Polar Surface Area: 59.1?2

Experimental Properties

  • PSA: 59.1

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