CAS
21906-31-0 Purity
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21906-31-0 Purity
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Specification
The molecular formula is C10H6BrNO2.
The molecular weight is 252.06 g/mol.
The IUPAC name is 4-bromoquinoline-6-carboxylic acid.
The InChI is InChI=1S/C10H6BrNO2/c11-8-3-4-12-9-2-1-6(10(13)14)5-7(8)9/h1-5H,(H,13,14).
The InChIKey is LXDXJSHQARTINV-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=NC=CC(=C2C=C1C(=O)O)Br.
The CAS number is 219763-87-8.
The XLogP3-AA value is 2.4.
Yes, it is canonicalized.