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Structure

2-Benzoylpyrrole

CAS
7697-46-3
Catalog Number
ACM7697463
Category
Other Products
Molecular Weight
171.2
Molecular Formula
C11H9NO

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Specification

Synonyms
2-BENZOYLPYRROLE;2-Benzoylpyrroline;Phenyl(1H-pyrrol-2-yl)methanone;(1H-Pyrrole-2-yl)phenyl ketone;2-Benzoyl-1H-pyrrole;Phenyl(1H-pyrrol-2-yl) ketone;Nsc75585;Pyrrol-2-yl Phenyl Ketone
Melting Point
75-77°C
What is the molecular formula of 2-Benzoylpyrrole?

The molecular formula of 2-Benzoylpyrrole is C11H9NO.

What is the molecular weight of 2-Benzoylpyrrole?

The molecular weight of 2-Benzoylpyrrole is 171.19 g/mol.

How is the IUPAC name of 2-Benzoylpyrrole computed?

The IUPAC name of 2-Benzoylpyrrole is computed by Lexichem TK 2.7.0.

What is the InChIKey of 2-Benzoylpyrrole?

The InChIKey of 2-Benzoylpyrrole is NFGGQMYSOLVBLF-UHFFFAOYSA-N.

What is the canonical SMILES representation of 2-Benzoylpyrrole?

The canonical SMILES representation of 2-Benzoylpyrrole is C1=CC=C(C=C1)C(=O)C2=CC=CN2.

What is the CAS number of 2-Benzoylpyrrole?

The CAS number of 2-Benzoylpyrrole is 7697-46-3.

What is the XLogP3 value of 2-Benzoylpyrrole?

The XLogP3 value of 2-Benzoylpyrrole is 2.6.

How many hydrogen bond donor counts does 2-Benzoylpyrrole have?

2-Benzoylpyrrole has 1 hydrogen bond donor count.

How many rotatable bond counts does 2-Benzoylpyrrole have?

2-Benzoylpyrrole has 2 rotatable bond counts.

Is the compound canonicalized for 2-Benzoylpyrrole?

Yes, the compound is canonicalized for 2-Benzoylpyrrole.

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