CAS
2227-64-7 Purity
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2227-64-7 Purity
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The molecular formula is C8H4BrF3O.
The molecular weight is 253.02 g/mol.
The IUPAC name is 2-bromo-5-(trifluoromethyl)benzaldehyde.
The InChI is InChI=1S/C8H4BrF3O/c9-7-2-1-6(8(10,11)12)3-5(7)4-13/h1-4H.
The InChIKey is CSOBJYGHQOLWOD-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1C(F)(F)F)C=O)Br.
The CAS number is 102684-91-3.
The XLogP3-AA value is 3.
It has 0 hydrogen bond donor counts.
It has 4 hydrogen bond acceptor counts.