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Home > Encyclopedia > 1,2-BENZIODOXOLE-1(3H)-CARBONITRILE

1,2-BENZIODOXOLE-1(3H)-CARBONITRILE

1,2-BENZIODOXOLE-1(3H)-CARBONITRILE structure

1,2-BENZIODOXOLE-1(3H)-CARBONITRILE 

structure
  • CAS No:

    172876-96-9

  • Formula:

    C8H4INO2

  • Chemical Name:

    1,2-BENZIODOXOLE-1(3H)-CARBONITRILE

  • Synonyms:

    1,2-Benziodoxole-1(3H)-carbonitrile, 3-oxo-;3-Oxo-1,2-benziodoxole-1(3H)-carbonitrile;NSC687712;3-oxo-1$l^{3},2-benziodoxole-1-carbonitrile;3-Oxo-1,2-benziodoxole-1-(3H)-carbonitrile;CHEMBL1975955;CTK0H3359;DTXSID80327803;KS-00000LX1;AKOS015908567

1,2-BENZIODOXOLE-1(3H)-CARBONITRILE Basic Attributes

273.02

272.929

687712

DTXSID80327803

Characteristics

50.1

2.5

173-175 °C (decomp)

Safety Information

Xi

Irritant

Computed Properties

Molecular Weight:273.03
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:272.92868
Monoisotopic Mass:272.92868
Topological Polar Surface Area:50.1
Heavy Atom Count:12
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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