449727-85-9 Purity
96%
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Specification
The molecular formula of 3-Bromo-4-fluorotoluene is C7H6BrF.
The molecular weight of 3-Bromo-4-fluorotoluene is 189.02 g/mol.
The IUPAC name of 3-Bromo-4-fluorotoluene is 2-bromo-1-fluoro-4-methylbenzene.
The Canonical SMILES representation of 3-Bromo-4-fluorotoluene is CC1=CC(=C(C=C1)F)Br.
The InChIKey of 3-Bromo-4-fluorotoluene is QLRKALMVPCQTMU-UHFFFAOYSA-N.
3-Bromo-4-fluorotoluene has one hydrogen bond acceptor count.
The topological polar surface area of 3-Bromo-4-fluorotoluene is 0Ų.
Yes, the compound is canonicalized.
The XLogP3-AA value of 3-Bromo-4-fluorotoluene is 3.1.
3-Bromo-4-fluorotoluene has 1 covalently-bonded unit count.