CAS
1190423-61-0 Purity
96%
1190423-61-0 Purity
96%
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Specification
The molecular formula is C7H6BFO4.
The molecular weight is 183.93 g/mol.
The IUPAC name is 4-borono-2-fluorobenzoic acid.
The InChI is InChI=1S/C7H6BFO4/c9-6-3-4(8(12)13)1-2-5(6)7(10)11/h1-3,12-13H,(H,10,11).
The InChIKey is CZDWJVSOQOMYGC-UHFFFAOYSA-N.
The canonical SMILES is B(C1=CC(=C(C=C1)C(=O)O)F)(O)O.
The CAS number is 120153-08-4.
The European Community (EC) Number is 675-639-7.
The DSSTox Substance ID is DTXSID90376807.
Yes, it is a canonicalized compound according to PubChem.