CAS
3562-84-3 Purity
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3562-84-3 Purity
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Specification
The molecular formula is C3H4BF3O2.
The molecular weight is 139.87 g/mol.
The IUPAC name is 3,3,3-trifluoroprop-1-en-2-ylboronic acid.
The InChI is InChI=1S/C3H4BF3O2/c1-2(4(8)9)3(5,6)7/h8-9H,1H2.
The InChIKey is POVDLRLOSUDCMI-UHFFFAOYSA-N.
It has 2 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
The exact mass is 140.0256440 g/mol.
The topological polar surface area is 40.5 Ų.
Yes, the compound is canonicalized.