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The molecular formula of Methyl 4-isothiocyanatobenzoate is C9H7NO2S.
The molecular weight of Methyl 4-isothiocyanatobenzoate is 193.22 g/mol.
The IUPAC name of Methyl 4-isothiocyanatobenzoate is methyl 4-isothiocyanatobenzoate.
The InChI of Methyl 4-isothiocyanatobenzoate is InChI=1S/C9H7NO2S/c1-12-9(11)7-2-4-8(5-3-7)10-6-13/h2-5H,1H3.
The InChIKey of Methyl 4-isothiocyanatobenzoate is WIZODHILGBTPPA-UHFFFAOYSA-N.
The canonical SMILES of Methyl 4-isothiocyanatobenzoate is COC(=O)C1=CC=C(C=C1)N=C=S.
The CAS number of Methyl 4-isothiocyanatobenzoate is 3662-78-0.
The European Community (EC) number of Methyl 4-isothiocyanatobenzoate is 671-312-8.
The XLogP3 value of Methyl 4-isothiocyanatobenzoate is 3.8.
Yes, Methyl 4-isothiocyanatobenzoate is a canonicalized compound.
1,2,3,4-Tetrahydro-isoquinoline-7-carboxylic acid
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Methyl 2-isothiocyanatobenzoate
2-Methoxy-5-(trifluoromethoxy)benzoic acid
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