Ethyl 3-Phenyl-1H-pyrrole-2-carboxylate - CAS 21390-88-5

Catalog:	BB016814
Product Name:	Ethyl 3-Phenyl-1H-pyrrole-2-carboxylate
CAS:	21390-88-5
Synonyms:	3-phenyl-1H-pyrrole-2-carboxylic acid ethyl ester; ethyl 3-phenyl-1H-pyrrole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-phenyl-1H-pyrrole-2-carboxylate
Description:	Ethyl 3-Phenyl-1H-pyrrole-2-carboxylate (CAS# 21390-88-5 ) is a useful research chemical.
Molecular Weight:	215.25
Molecular Formula:	C13H13NO2
Canonical SMILES:	CCOC(=O)C1=C(C=CN1)C2=CC=CC=C2
InChI:	InChI=1S/C13H13NO2/c1-2-16-13(15)12-11(8-9-14-12)10-6-4-3-5-7-10/h3-9,14H,2H2,1H3
InChI Key:	CABKYOUETSTTNE-UHFFFAOYSA-N
LogP:	2.85840

Publication Number	Title	Priority Date
AU-2004245269-A1	Aryl-heteroaromatic products, compositions containing same and use thereof	20030604
JP-2006526596-A	Aryl-heteroaromatic products, compositions containing them and uses thereof	20030604
JP-4805813-B2	Aryl-heteroaromatic products, compositions containing them and uses thereof	20030604
US-2005014765-A1	Aryl-heteroaromatic products, compositions comprising them and use	20030604

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Carbonyl Compounds

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N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]
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[70199-62-1]
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[35153-16-3]
(Z)-10-Tetradecenyl Acetate

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.094628657
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.094628657
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9