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The molecular formula is C8H6ClNOS.
The molecular weight is 199.66 g/mol.
The IUPAC name is 4-chloro-2-isothiocyanato-1-methoxybenzene.
The InChI is InChI=1S/C8H6ClNOS/c1-11-8-3-2-6(9)4-7(8)10-5-12/h2-4H,1H3.
The InChIKey is WGLDKQQXEWPFAR-UHFFFAOYSA-N.
The Canonical SMILES is COC1=C(C=C(C=C1)Cl)N=C=S.
The CAS number is 63429-99-2.
The European Community (EC) number is 671-004-3.
The XLogP3-AA value is 3.9.
Yes, it is a canonicalized compound.
2-[(Propylamino)methyl]thieno[3,2-d]pyrimidin-4(3H)-one
tert-Butyl benzyl(4-hydroxybutyl)carbamate
2-(Trifluoromethoxy)benzamide
3-Fluoro-4-methoxybenzoyl chloride
4-Chloro-2-fluoro-5-methoxy benzaldehyde
2-Fluoro-4-isocyanato-1-methoxybenzene
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