64113-84-4 Purity
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Specification
The molecular formula of 2,6-Difluorophenyl isocyanate is C7H3F2NO.
The molecular weight of 2,6-Difluorophenyl isocyanate is 155.10 g/mol.
The IUPAC name of 2,6-Difluorophenyl isocyanate is 1,3-difluoro-2-isocyanatobenzene.
The InChI of 2,6-Difluorophenyl isocyanate is InChI=1S/C7H3F2NO/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H.
The InChIKey of 2,6-Difluorophenyl isocyanate is YXHDLKWTPVMIOH-UHFFFAOYSA-N.
The Canonical SMILES of 2,6-Difluorophenyl isocyanate is C1=CC(=C(C(=C1)F)N=C=O)F.
The CAS number of 2,6-Difluorophenyl isocyanate is 65295-69-4.
The European Community (EC) number of 2,6-Difluorophenyl isocyanate is 627-554-1.
The XLogP3-AA value of 2,6-Difluorophenyl isocyanate is 2.9.
Yes, 2,6-Difluorophenyl isocyanate is a canonicalized compound.