CAS
134993-88-7 Purity
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134993-88-7 Purity
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Specification
The molecular formula is C7H3FINO.
The molecular weight is 263.01 g/mol.
The IUPAC name is 2-fluoro-4-iodo-1-isocyanatobenzene.
The InChI code is InChI=1S/C7H3FINO/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H.
The InChIKey is VBRWSMMFMURCHF-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1I)F)N=C=O.
The CAS number is 139072-17-6.
The European Community (EC) number is 623-263-9.
Yes, it is a canonicalized compound.