CAS
334512-82-2 Purity
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334512-82-2 Purity
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Specification
The molecular formula is C10H6Cl2OS.
The molecular weight is 245.12 g/mol.
The IUPAC name is 3-chloro-6-methyl-1-benzothiophene-2-carbonyl chloride.
The InChI code is InChI=1S/C10H6Cl2OS/c1-5-2-3-6-7(4-5)14-9(8(6)11)10(12)13/h2-4H,1H3.
The InChIKey is UHRYEWIAYLVOIT-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC2=C(C=C1)C(=C(S2)C(=O)Cl)Cl.
It has 0 hydrogen bond donor counts.
The XLogP3-AA value is 4.8.
The topological polar surface area is 45.3 Ų.
Yes, the compound is canonicalized.