CAS
887430-98-0 Purity
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887430-98-0 Purity
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Specification
The molecular formula is C7H3BrF2O2.
The molecular weight is 237.00 g/mol.
The IUPAC name is 5-bromo-2,3-difluorobenzoic acid.
The InChI is InChI=1S/C7H3BrF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12).
The InChIKey is IOYATAKVVIXJQT-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1C(=O)O)F)F)Br.
The CAS number is 887585-64-0.
It has 1 hydrogen bond donor count.
It has 1 rotatable bond count.