CAS
91066-47-6 Purity
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91066-47-6 Purity
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Specification
The molecular formula is C12H10ClNO2S.
The molecular weight is 267.73 g/mol.
The IUPAC name is methyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate.
The InChIKey is MELGGDOYSMRBGA-UHFFFAOYSA-N.
The CAS number is 91076-93-6.
The XLogP3-AA value is 3.9.
It has 1 hydrogen bond donor count.
It has 3 rotatable bond counts.
The topological polar surface area is 80.6 Ų.
Yes, the compound is canonicalized.