CAS
945217-63-0 Purity
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945217-63-0 Purity
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Specification
The molecular formula is C9H10N2O3.
The molecular weight is 194.19 g/mol.
The IUPAC name is N-ethyl-2-nitrobenzamide.
The InChIKey is MEUCVEVMNSNATL-UHFFFAOYSA-N.
The canonical SMILES is CCNC(=O)C1=CC=CC=C1[N+](=O)[O-].
The XLogP3 value is 0.6.
There is 1 hydrogen bond donor count.
There are 3 hydrogen bond acceptor counts.
The topological polar surface area is 74.9 Ų.
Yes, it is a canonicalized compound.