CAS
31197-30-5 Purity
98%
31197-30-5 Purity
98%
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The molecular formula is C13H10BrNO2.
The molecular weight is 292.13 g/mol.
The IUPAC name is 6-bromo-2-cyclopropylquinoline-4-carboxylic acid.
The InChI is InChI=1S/C13H10BrNO2/c14-8-3-4-11-9(5-8)10(13(16)17)6-12(15-11)7-1-2-7/h3-7H,1-2H2,(H,16,17).
The InChIKey is CPGMJISXVAOPHO-UHFFFAOYSA-N.
The canonical SMILES is C1CC1C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O.
The CAS number is 313241-16-6.
The DSSTox Substance ID is DTXSID00298389.
The NSC number is 122848.
Yes, it is a canonicalized compound.