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The molecular formula is C8H8BrNO3.
The synonyms are 62827-41-2, 2-Bromo-4-methoxy-6-nitrotoluene, Benzene, 1-bromo-5-methoxy-2-methyl-3-nitro-, DTXSID40646168.
The molecular weight is 246.06 g/mol.
The IUPAC name is 1-bromo-5-methoxy-2-methyl-3-nitrobenzene.
The InChI is InChI=1S/C8H8BrNO3/c1-5-7(9)3-6(13-2)4-8(5)10(11)12/h3-4H,1-2H3.
The InChIKey is VMHCFQWEXWUPFT-UHFFFAOYSA-N.
The canonical SMILES is CC1=C(C=C(C=C1Br)OC)[N+](=O)[O-].
The XLogP3-AA value is 2.8.
It has 0 hydrogen bond donor counts.
It has 1 rotatable bond count.
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