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| IUPAC Name: | tert-butyl 3-isothiocyanatobenzoate |
| Description: | tert-Butyl 3-isothiocyanatobenzoate (CAS# 486415-53-6 ) is a useful research chemical. |
| Molecular Weight: | 235.30 |
| Molecular Formula: | C12H13NO2S |
| Canonical SMILES: | CC(C)(C)OC(=O)C1=CC(=CC=C1)N=C=S |
| InChI: | InChI=1S/C12H13NO2S/c1-12(2,3)15-11(14)9-5-4-6-10(7-9)13-8-16/h4-7H,1-3H3 |
| InChI Key: | WUMCWUULWWVQGT-UHFFFAOYSA-N |
| MDL: | MFCD03453225 |
| LogP: | 3.37620 |
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