Ethyl 3-isothiocyanatobenzoate
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Ethyl 3-isothiocyanatobenzoate
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CAS No:
3137-84-6
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Formula:
C10H9NO2S
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Chemical Name:
Ethyl 3-isothiocyanatobenzoate
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Synonyms:
Benzoic acid,3-isothiocyanato-,ethyl ester;Benzoic acid,m-isothiocyanato-,ethyl ester;Ethyl 3-isothiocyanatobenzoate;3-Ethoxycarbonylphenyl isothiocyanate;3-Isothiocyanato-benzoic acid ethyl ester
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CAS No:
Safety Information
IRRITANT-HARMFUL
2810
20/21/22-36/37/38
26-36/37/39
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
Computed Properties
Molecular Weight:207.25
XLogP3:3.9
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:207.03539970
Monoisotopic Mass:207.03539970
Topological Polar Surface Area:70.8
Heavy Atom Count:14
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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