85118-00-9 Purity
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Specification
The molecular formula of 4-Bromo-2-iodo-5-fluorotoluene is C7H5BrFI.
4-Bromo-2-iodo-5-fluorotoluene was created on 2005-07-19 and last modified on 2023-12-02.
The IUPAC name of 4-Bromo-2-iodo-5-fluorotoluene is 1-bromo-2-fluoro-5-iodo-4-methylbenzene.
The InChI of 4-Bromo-2-iodo-5-fluorotoluene is InChI=1S/C7H5BrFI/c1-4-2-6(9)5(8)3-7(4)10/h2-3H,1H3.
The Canonical SMILES of 4-Bromo-2-iodo-5-fluorotoluene is CC1=CC(=C(C=C1I)Br)F.
The molecular weight of 4-Bromo-2-iodo-5-fluorotoluene is 314.92 g/mol.
The CAS number of 4-Bromo-2-iodo-5-fluorotoluene is 870704-15-7.
The XLogP3-AA value of 4-Bromo-2-iodo-5-fluorotoluene is 3.7.
4-Bromo-2-iodo-5-fluorotoluene has 1 hydrogen bond acceptor.
Yes, the compound 4-Bromo-2-iodo-5-fluorotoluene is canonicalized.