112-29-8 Purity
98%
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The molecular formula of methyl 2-bromo-5-sulfamoylbenzoate is C8H8BrNO4S.
The molecular weight of methyl 2-bromo-5-sulfamoylbenzoate is 294.12 g/mol.
The IUPAC name of methyl 2-bromo-5-sulfamoylbenzoate is methyl 2-bromo-5-sulfamoylbenzoate.
The InChI of methyl 2-bromo-5-sulfamoylbenzoate is InChI=1S/C8H8BrNO4S/c1-14-8(11)6-4-5(15(10,12)13)2-3-7(6)9/h2-4H,1H3,(H2,10,12,13).
The InChIKey of methyl 2-bromo-5-sulfamoylbenzoate is IQWBSPAOUYKERV-UHFFFAOYSA-N.
The canonical SMILES of methyl 2-bromo-5-sulfamoylbenzoate is COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br.
The CAS number of methyl 2-bromo-5-sulfamoylbenzoate is 924867-88-9.
The European Community (EC) number of methyl 2-bromo-5-sulfamoylbenzoate is 818-746-8.
The XLogP3 value of methyl 2-bromo-5-sulfamoylbenzoate is 1.3.
Yes, methyl 2-bromo-5-sulfamoylbenzoate is a canonicalized compound.