89466-18-2 Purity
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The molecular formula of 4-Bromo-2-chloro-3-fluorotoluene is C7H5BrClF.
The molecular weight of 4-Bromo-2-chloro-3-fluorotoluene is 223.47 g/mol.
The IUPAC name of 4-Bromo-2-chloro-3-fluorotoluene is 1-bromo-3-chloro-2-fluoro-4-methylbenzene.
The InChI of 4-Bromo-2-chloro-3-fluorotoluene is InChI=1S/C7H5BrClF/c1-4-2-3-5(8)7(10)6(4)9/h2-3H,1H3.
The InChIKey of 4-Bromo-2-chloro-3-fluorotoluene is NZMSYYMOERIMAG-UHFFFAOYSA-N.
The canonical SMILES representation of 4-Bromo-2-chloro-3-fluorotoluene is CC1=C(C(=C(C=C1)Br)F)Cl.
The CAS number of 4-Bromo-2-chloro-3-fluorotoluene is 909122-21-0.
The XLogP3-AA value of 4-Bromo-2-chloro-3-fluorotoluene is 3.7.
The hydrogen bond acceptor count of 4-Bromo-2-chloro-3-fluorotoluene is 1.
Yes, 4-Bromo-2-chloro-3-fluorotoluene is a canonicalized compound.