CAS
380380-64-3 Purity
96%
380380-64-3 Purity
96%
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The molecular formula is C6H3BrFNO2.
The molecular weight is 220.00 g/mol.
The IUPAC name is 6-bromo-5-fluoropyridine-3-carboxylic acid.
The Canonical SMILES is C1=C(C=NC(=C1F)Br)C(=O)O.
The InChIKey is YYLYQDSWERQSTR-UHFFFAOYSA-N.
The CAS number is 38186-87-7.
The EC number is 693-873-8.
The Hydrogen Bond Donor Count is 1.
The Hydrogen Bond Acceptor Count is 4.
Yes, it is a canonicalized compound.