tert-butyl 3-isothiocyanatobenzoate
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tert-butyl 3-isothiocyanatobenzoate
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CAS No:
486415-53-6
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Formula:
C12H13NO2S
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Chemical Name:
tert-butyl 3-isothiocyanatobenzoate
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Synonyms:
3-isothiocyanato-benzoic acid tert-butyl ester; 3-(tert-Butoxycarbonyl)phenyl isothiocyanate; t-butyl-3-isothiocyanato-benzoate;
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CAS No:
tert-butyl 3-isothiocyanatobenzoate Basic Attributes
235.30200
235.06669983
DTXSID90398908
2930909090
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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