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Home > Encyclopedia > 3-NITROBENZOYL ISOTHIOCYANATE

3-NITROBENZOYL ISOTHIOCYANATE

3-NITROBENZOYL ISOTHIOCYANATE structure

3-NITROBENZOYL ISOTHIOCYANATE 

structure
  • CAS No:

    78225-78-2

  • Formula:

    C8H4N2O3S

  • Chemical Name:

    3-NITROBENZOYL ISOTHIOCYANATE

  • Synonyms:

    3-nitro-benzoyl isothiocyanate; Benzoyl isothiocyanate,3-nitro; isothiocyanato-(3-nitrophenyl)methanone; (3-Nitro-benzoyl)-thiocarbimid; <3-Nitro-benzoyl>-isothiocyanat;

3-NITROBENZOYL ISOTHIOCYANATE Basic Attributes

208.19400

207.99426317 g/mol

DTXSID80228902

2930909090

Characteristics

107.34000

2.36100

1.39g/cm3

93ºC

345.8ºC

162.9ºC

1.641

Computed Properties

Molecular Weight:208.20
XLogP3:3.6
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:207.99426317
Monoisotopic Mass:207.99426317
Topological Polar Surface Area:107
Heavy Atom Count:14
Complexity:294
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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