CAS
929074-47-5 Purity
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929074-47-5 Purity
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Specification
The molecular formula is C9H10BrNO4.
The molecular weight is 276.08 g/mol.
The IUPAC name is 2-bromo-4-(dimethoxymethyl)-1-nitrobenzene.
The InChI is InChI=1S/C9H10BrNO4/c1-14-9(15-2)6-3-4-8(11(12)13)7(10)5-6/h3-5,9H,1-2H3.
The InChIKey is YVZGRDVURZBPIB-UHFFFAOYSA-N.
There are 4 hydrogen bond acceptors.
The topological polar surface area is 64.3 Ų.
There are 3 rotatable bonds.
Yes, it is a canonicalized compound.
The complexity value is 217.