CAS
916176-53-9 Purity
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916176-53-9 Purity
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Specification
The molecular formula is C10H8BrNO2.
The synonyms are METHYL 3-BROMOINDOLE-5-CARBOXYLATE, methyl 3-bromo-1H-indole-5-carboxylate, MFCD12828702, and 3-bromoindole-5-carboxylic acid methyl ester.
The molecular weight is 254.08 g/mol.
It was created on October 26, 2011.
It was last modified on December 30, 2023.
The IUPAC Name is methyl 3-bromo-1H-indole-5-carboxylate.
The InChI is InChI=1S/C10H8BrNO2/c1-14-10(13)6-2-3-9-7(4-6)8(11)5-12-9/h2-5,12H,1H3.
The InChIKey is NSZAFPUTJXZLKC-UHFFFAOYSA-N.
The Canonical SMILES is COC(=O)C1=CC2=C(C=C1)NC=C2Br.
The CAS number is 916179-88-9.