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Home > Encyclopedia > tert-butyl 3-isothiocyanatobenzoate

tert-butyl 3-isothiocyanatobenzoate

tert-butyl 3-isothiocyanatobenzoate structure

tert-butyl 3-isothiocyanatobenzoate 

structure
  • CAS No:

    486415-53-6

  • Formula:

    C12H13NO2S

  • Chemical Name:

    tert-butyl 3-isothiocyanatobenzoate

  • Synonyms:

    3-isothiocyanato-benzoic acid tert-butyl ester; 3-(tert-Butoxycarbonyl)phenyl isothiocyanate; t-butyl-3-isothiocyanato-benzoate;

tert-butyl 3-isothiocyanatobenzoate Basic Attributes

235.30200

235.06669983

DTXSID90398908

2930909090

Characteristics

70.75000

3.37620

Safety Information

P261; P280; P342 + P311

H302; H312; H317; H332; H334

Computed Properties

Molecular Weight:235.30
XLogP3:4.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:235.06669983
Monoisotopic Mass:235.06669983
Topological Polar Surface Area:70.8
Heavy Atom Count:16
Complexity:303
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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