CAS
958358-00-4 Purity
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958358-00-4 Purity
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![2-Cyano-3-[4-(dimethylamino)phenyl]-2-propenoic acid 3-[[[1-[(7-methoxy-2-oxo-2H-1-benzopyran-3-yl)carbonyl]-4-piperidinyl]carbonyl]amino]propyl este](https://resource.alfa-chemistry.com/structure/958396-69-5.gif)
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1H-Pyrrole-3-carboxylicacid,4-(2-chlorophenyl)-2,5-dimethyl-,ethylester(9ci)
CAS
95838-65-6
Catalog Number
ACM95838656
Category
Other Products
Molecular Formula
C15H16ClNO2
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Specification
Synonyms
1H-Pyrrole-3-carboxylicacid,4-(2-chlorophenyl)-2,5-dimethyl-,ethylester(9CI)
What is the molecular formula of 1H-Pyrrole-3-carboxylic acid, 4-(2-chlorophenyl)-2,5-dimethyl-, ethyl ester (9CI)?
The molecular formula is C15H16ClNO2.
When was the compound initially created?
The compound was initially created on 2005-07-28.
What is the IUPAC name of the compound?
The IUPAC name is ethyl 4-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxylate.
What is the InChIKey of the compound?
The InChIKey is PWWWDFVOCGZUIK-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 42.1 Ų.
How many defined atom stereocenter counts does the compound have?
The compound has 0 defined atom stereocenter counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.
What is the exact mass of the compound?
The exact mass is 277.0869564 g/mol.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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95838-85-0 Purity
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