CAS
7617-93-8 Purity
98%
7617-93-8 Purity
98%
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The molecular formula is C7H2Br2FNO.
The molecular weight is 294.90 g/mol.
It was created on September 14, 2005.
The IUPAC name is 1,3-dibromo-5-fluoro-2-isocyanatobenzene.
The InChI key is NYPBOWHIPOBXBA-UHFFFAOYSA-N.
The canonical SMILES is C1=C(C=C(C(=C1Br)N=C=O)Br)F.
The CAS number is 76393-18-5.
The XLogP3-AA value is 4.2.
There are 3 hydrogen bond acceptor counts.
Yes, it is a canonicalized compound.