1,1-Dimethylethyl 4-isothiocyanatobenzoate
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1,1-Dimethylethyl 4-isothiocyanatobenzoate
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CAS No:
486415-37-6
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Formula:
C12H13NO2S
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Chemical Name:
1,1-Dimethylethyl 4-isothiocyanatobenzoate
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Synonyms:
Benzoic acid,4-isothiocyanato-,1,1-dimethylethyl ester;1,1-Dimethylethyl 4-isothiocyanatobenzoate;4-Isothiocyanatobenzoic acid tert-butyl ester;4-(tert-Butoxycarbonyl)phenyl isothiocyanate
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CAS No:
Safety Information
NONH for all modes of transport
3
20/21/22-32-42
22-36/37-45
Xn
P261-P280-P342 + P311
H302-H312-H317-H332-H334
Computed Properties
Molecular Weight:235.30
XLogP3:4.8
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:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1,1-Dimethylethyl 4-isothiocyanatobenzoate
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