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The molecular formula of methyl 3-bromo-2-methyl-5-nitrobenzoate is C9H8BrNO4.
The synonyms for methyl 3-bromo-2-methyl-5-nitrobenzoate are 885519-05-1, methyl3-bromo-2-methyl-5-nitrobenzoate, SCHEMBL1335440, and DTXSID10619889.
The molecular weight of methyl 3-bromo-2-methyl-5-nitrobenzoate is 274.07 g/mol.
The IUPAC name of methyl 3-bromo-2-methyl-5-nitrobenzoate is methyl 3-bromo-2-methyl-5-nitrobenzoate.
The InChI of methyl 3-bromo-2-methyl-5-nitrobenzoate is InChI=1S/C9H8BrNO4/c1-5-7(9(12)15-2)3-6(11(13)14)4-8(5)10/h3-4H,1-2H3.
The InChIKey of methyl 3-bromo-2-methyl-5-nitrobenzoate is KHYSOGYKNCNXIS-UHFFFAOYSA-N.
The canonical SMILES of methyl 3-bromo-2-methyl-5-nitrobenzoate is CC1=C(C=C(C=C1Br)[N+](=O)[O-])C(=O)OC.
The XLogP3-AA value of methyl 3-bromo-2-methyl-5-nitrobenzoate is 2.7.
Methyl 3-bromo-2-methyl-5-nitrobenzoate has 0 hydrogen bond donor counts.
Methyl 3-bromo-2-methyl-5-nitrobenzoate has 4 hydrogen bond acceptor counts.
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