CAS
1003-50-5 Purity
98%
1003-50-5 Purity
98%
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The molecular formula is C6H6BrNO2S.
The IUPAC name is ethyl 2-bromo-1,3-thiazole-4-carboxylate.
The InChI is InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3.
The InChIKey is CNHISCQPKKGDPO-UHFFFAOYSA-N.
The canonical SMILES is CCOC(=O)C1=CSC(=N1)Br.
The CAS number is 100367-77-9.
The molecular weight is 236.09 g/mol.
The XLogP3-AA value is 2.5.
Ethyl 2-bromothiazole-4-carboxylate has 0 hydrogen bond donor count.
Ethyl 2-bromothiazole-4-carboxylate has 3 rotatable bond counts.