CAS
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Specification
The molecular formula is C8H5BrF4.
The molecular weight is 257.02 g/mol.
The IUPAC name is 4-(bromomethyl)-2-fluoro-1-(trifluoromethyl)benzene.
The InChI is InChI=1S/C8H5BrF4/c9-4-5-1-2-6(7(10)3-5)8(11,12)13/h1-3H,4H2.
The InChIKey is MOVSRIIBGRAUAF-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1CBr)F)C(F)(F)F.
The CAS number is 213203-65-7.
The XLogP3-AA value is 3.5.
It has 0 hydrogen bond donor count.
It has 4 hydrogen bond acceptor counts.