CAS
93-42-5 Purity
MP 111-112deg
93-42-5 Purity
MP 111-112deg
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The molecular formula is C10H8F6O.
It was created on 2006-10-26.
The molecular weight is 258.16 g/mol.
The InChI is 1S/C10H8F6O/c11-9(12,13)7-3-6(1-2-17)4-8(5-7)10(14,15)16/h3-5,17H,1-2H2.
The InChIKey is ICNQSKXBJAIKCP-UHFFFAOYSA-N.
It has 1 hydrogen bond donor count.
The XLogP3-AA value is 3.3.
It has 7 hydrogen bond acceptor counts.
The topological polar surface area is 20.2 Ų.
Yes, the compound is canonicalized.