Cas no 1369819-64-6 (4-Bromo-2-(tert-butyl)benzonitrile)

4-Bromo-2-(tert-butyl)benzonitrile structure
1369819-64-6 structure
Product Name:4-Bromo-2-(tert-butyl)benzonitrile
CAS No:1369819-64-6
MF:C11H12BrN
MW:238.123682022095
MDL:MFCD28963501
CID:2093289
PubChem ID:70928017
Update Time:2024-11-02

4-Bromo-2-(tert-butyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-(tert-butyl)benzonitrile
    • 4-bromo-2-tert-butylbenzonitrile
    • 4-Bromo-2-t-butylbenzonitrile
    • AK167240
    • 1369819-64-6
    • MFCD28963501
    • N10758
    • CS-0060875
    • AKOS025287161
    • SCHEMBL13525549
    • DS-9446
    • Benzonitrile, 4-bromo-2-(1,1-dimethylethyl)-
    • MDL： MFCD28963501
    • Inchi： 1S/C11H12BrN/c1-11(2,3)10-6-9(12)5-4-8(10)7-13/h4-6H,1-3H3
    • InChI Key： RFPUYUKQNAQOFM-UHFFFAOYSA-N
    • SMILES： BrC1C=CC(C#N)=C(C=1)C(C)(C)C

Computed Properties

  • Exact Mass: 237.01531g/mol
  • Monoisotopic Mass: 237.01531g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 220
  • 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
  • Topological Polar Surface Area: 23.8
  • XLogP3: 4

4-Bromo-2-(tert-butyl)benzonitrile Pricemore >>

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