7745-93-9 Purity
98%
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The molecular formula of 2-Bromo-1-chloro-4-methylbenzene is C7H6BrCl.
The molecular weight of 2-Bromo-1-chloro-4-methylbenzene is 205.48 g/mol.
The IUPAC name of 2-Bromo-1-chloro-4-methylbenzene is 2-bromo-1-chloro-4-methylbenzene.
The InChI of 2-Bromo-1-chloro-4-methylbenzene is InChI=1S/C7H6BrCl/c1-5-2-3-7(9)6(8)4-5/h2-4H,1H3.
The InChIKey of 2-Bromo-1-chloro-4-methylbenzene is UWXPTVKKHVOZLJ-UHFFFAOYSA-N.
The canonical SMILES of 2-Bromo-1-chloro-4-methylbenzene is CC1=CC(=C(C=C1)Cl)Br.
The CAS number of 2-Bromo-1-chloro-4-methylbenzene is 57310-39-1.
The XLogP3-AA value of 2-Bromo-1-chloro-4-methylbenzene is 3.6.
2-Bromo-1-chloro-4-methylbenzene has 0 hydrogen bond donor count.
2-Bromo-1-chloro-4-methylbenzene has 0 rotatable bond count.