76944-95-1 Purity
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Specification
The molecular formula of 2-Benzoylpyrrole is C11H9NO.
The molecular weight of 2-Benzoylpyrrole is 171.19 g/mol.
The IUPAC name of 2-Benzoylpyrrole is computed by Lexichem TK 2.7.0.
The InChIKey of 2-Benzoylpyrrole is NFGGQMYSOLVBLF-UHFFFAOYSA-N.
The canonical SMILES representation of 2-Benzoylpyrrole is C1=CC=C(C=C1)C(=O)C2=CC=CN2.
The CAS number of 2-Benzoylpyrrole is 7697-46-3.
The XLogP3 value of 2-Benzoylpyrrole is 2.6.
2-Benzoylpyrrole has 1 hydrogen bond donor count.
2-Benzoylpyrrole has 2 rotatable bond counts.
Yes, the compound is canonicalized for 2-Benzoylpyrrole.