79865-03-5 Purity
96%
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Specification
The molecular formula of 4-Bromo-3-iodotoluene is C7H6BrI.
The molecular weight of 4-Bromo-3-iodotoluene is 296.93 g/mol.
The IUPAC name of 4-Bromo-3-iodotoluene is 1-bromo-2-iodo-4-methylbenzene.
The InChI of 4-Bromo-3-iodotoluene is InChI=1S/C7H6BrI/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H3.
The InChIKey of 4-Bromo-3-iodotoluene is FLOUOTRVXNQGKP-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-3-iodotoluene is CC1=CC(=C(C=C1)Br)I.
The CAS number of 4-Bromo-3-iodotoluene is 858841-53-9.
The XLogP3-AA value of 4-Bromo-3-iodotoluene is 3.6.
4-Bromo-3-iodotoluene does not have any hydrogen bond donor count (0).
4-Bromo-3-iodotoluene does not have any rotatable bond count (0).