Cas no 354561-72-1 (2-(4-Bromo-3-methylphenyl)benzodoxazol-5-amine)

2-(4-Bromo-3-methylphenyl)benzodoxazol-5-amine structure
354561-72-1 structure
Product Name:2-(4-Bromo-3-methylphenyl)benzodoxazol-5-amine
CAS No:354561-72-1
MF:C14H11BrN2O
MW:303.153942346573
CID:920348
PubChem ID:736325
Update Time:2025-04-19

2-(4-Bromo-3-methylphenyl)benzodoxazol-5-amine Chemical and Physical Properties

Names and Identifiers

    • 2-(4-BROMO-3-METHYL-PHENYL)-BENZOOXAZOL-5-YLAMINE
    • 2-(4-Bromo-3-methylphenyl)-1,3-benzoxazol-5-amine
    • SR-01000458170-1
    • 354561-72-1
    • SCHEMBL2245380
    • 2-(4-bromo-3-methylphenyl)benzo[d]oxazol-5-amine
    • AKOS000289273
    • DTXSID201258193
    • AM-879/15039003
    • STK035077
    • SR-01000458170
    • CS-0317977
    • 2-(4-Bromo-3-methyl-phenyl)-1,3-benzoxazol-5-amine
    • 2-(4-Bromo-3-methylphenyl)-5-benzoxazolamine
    • 2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-ylamine
    • BBL023308
    • VS-07391
    • 2-(4-Bromo-3-methylphenyl)benzodoxazol-5-amine
    • Inchi: 1S/C14H11BrN2O/c1-8-6-9(2-4-11(8)15)14-17-12-7-10(16)3-5-13(12)18-14/h2-7H,16H2,1H3
    • InChI Key: QDCMDSTYXXIQNH-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1C)C1=NC2C=C(C=CC=2O1)N

Computed Properties

  • Exact Mass: 302.00548g/mol
  • Monoisotopic Mass: 302.00548g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 302
  • 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: 3.8
  • Topological Polar Surface Area: 52?2

Experimental Properties

  • Density: 1.5±0.1 g/cm3
  • Boiling Point: 427.5±40.0 °C at 760 mmHg
  • Flash Point: 212.4±27.3 °C
  • Vapor Pressure: 0.0±1.0 mmHg at 25°C

2-(4-Bromo-3-methylphenyl)benzodoxazol-5-amine Security Information

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