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 |
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 |
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 |
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