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The molecular formula of 4-Bromo-2,5-dimethylbenzotrifluoride is C9H8BrF3.
The molecular weight of 4-Bromo-2,5-dimethylbenzotrifluoride is 253.06 g/mol.
The IUPAC name of 4-Bromo-2,5-dimethylbenzotrifluoride is 1-bromo-2,5-dimethyl-4-(trifluoromethyl)benzene.
The InChI of 4-Bromo-2,5-dimethylbenzotrifluoride is InChI=1S/C9H8BrF3/c1-5-4-8(10)6(2)3-7(5)9(11,12)13/h3-4H,1-2H3.
The InChIKey of 4-Bromo-2,5-dimethylbenzotrifluoride is JQFCVKLDNIXKPP-UHFFFAOYSA-N.
The canonical SMILES of 4-Bromo-2,5-dimethylbenzotrifluoride is CC1=CC(=C(C=C1Br)C)C(F)(F)F.
The XLogP3-AA value of 4-Bromo-2,5-dimethylbenzotrifluoride is 4.2.
4-Bromo-2,5-dimethylbenzotrifluoride has 0 hydrogen bond donor counts.
4-Bromo-2,5-dimethylbenzotrifluoride has 3 hydrogen bond acceptor counts.
4-Bromo-2,5-dimethylbenzotrifluoride has 0 rotatable bond counts.
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