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Home > Encyclopedia > 2-Bromo-4-cyanophenylisothiocyanate

2-Bromo-4-cyanophenylisothiocyanate

2-Bromo-4-cyanophenylisothiocyanate structure

2-Bromo-4-cyanophenylisothiocyanate 

structure
  • CAS No:

    1000577-91-2

  • Formula:

    C8H3BrN2S

  • Chemical Name:

    2-Bromo-4-cyanophenylisothiocyanate

  • Synonyms:

    3-Bromo-4-Isothiocyanato-Benzonitrile;2-Bromo-4-cyanophenylisothiocyanate;2-bromo-4-cyanophenyl isothiocyanate;3-bromo-4-isothiocyanatobenzonitrile;Benzonitrile, 3-bromo-4-isothiocyanato-;KSC005Q2T;CTK9A5829;KS-00000YNE;DTXSID40650225;ZINC15443843

  • Categories:

    Pharmaceutical Intermediates  >  Bulk Drug Intermediates

2-Bromo-4-cyanophenylisothiocyanate Basic Attributes

239.09182

237.92

DTXSID40650225

29349990

Characteristics

68.2

3.7

1.53±0.1 g/cm3(Predicted)

350.6±32.0 °C(Predicted)

Computed Properties

Molecular Weight:239.09
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:237.92003
Monoisotopic Mass:237.92003
Topological Polar Surface Area:68.2
Heavy Atom Count:12
Complexity:251
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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