2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid
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![2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/fadb26a1ecd5407bb6cdf33567afb79f.png "2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid")
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid
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CAS No:
33369-44-7
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Formula:
C16H16ClNO3
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Chemical Name:
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid
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Synonyms:
5-(p-chlorobenzoyl)-1,4,alpha-trimethylpyrrole-2-acetic acid;McN 2891;McN-2891;MCN-2891;33369-44-7;Mcn 2891;BRN 0491575;5-(4-Chlorobenzoyl)-alpha,1,4-trimethyl-1H-pyrrole-2-acetic acid;5-22-06-00400 (Beilstein Handbook Reference);SCHEMBL7674446;DTXSID20954995;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid;1H-Pyrrole-2-acetic acid, 5-(4-chlorobenzoyl)-alpha,1,4-trimethyl-;5-(p-chlorobenzoyl)-1,4,alpha-trimethylpyrrole-2-acetic acid;2-[5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]propanoic acid;Pyrrole-2-acetic acid, 5-(p-chlorobenzoyl)-alpha,1,4-trimethyl- (8CI)
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CAS No:
2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]propanoic acid Basic Attributes
305.75 g/mol
305.0818711 g/mol
Computed Properties
Molecular Weight:305.75
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:305.0818711
Monoisotopic Mass:305.0818711
Topological Polar Surface Area:59.3
Heavy Atom Count:21
Complexity:406
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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