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The molecular formula of Benzoic acid,2-isothiocyanato-,ethyl ester is C10H9NO2S.
The molecular weight of Benzoic acid,2-isothiocyanato-,ethyl ester is 207.25 g/mol.
The IUPAC name of Benzoic acid,2-isothiocyanato-,ethyl ester is ethyl 2-isothiocyanatobenzoate.
The InChI of Benzoic acid,2-isothiocyanato-,ethyl ester is InChI=1S/C10H9NO2S/c1-2-13-10(12)8-5-3-4-6-9(8)11-7-14/h3-6H,2H2,1H3.
The InChIKey of Benzoic acid,2-isothiocyanato-,ethyl ester is TYEPWLJHQLYWSR-UHFFFAOYSA-N.
The Canonical SMILES of Benzoic acid,2-isothiocyanato-,ethyl ester is CCOC(=O)C1=CC=CC=C1N=C=S.
Yes, Benzoic acid,2-isothiocyanato-,ethyl ester has a CAS number of 99960-09-5.
The European Community (EC) Number of Benzoic acid,2-isothiocyanato-,ethyl ester is 623-333-9.
The XLogP3 value of Benzoic acid,2-isothiocyanato-,ethyl ester is 4.2.
Yes, Benzoic acid,2-isothiocyanato-,ethyl ester is a canonicalized compound.
99948-90-0
99951-00-5
999-59-7
999-64-4
99964-70-2
99964-79-1
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