Ethyl 4-(1-Imidazolyl)benzoate - CAS 86718-07-2
Catalog: |
BB038047 |
Product Name: |
Ethyl 4-(1-Imidazolyl)benzoate |
CAS: |
86718-07-2 |
Synonyms: |
4-(1-imidazolyl)benzoic acid ethyl ester; ethyl 4-imidazol-1-ylbenzoate |
IUPAC Name: | ethyl 4-imidazol-1-ylbenzoate |
Description: | Ethyl 4-(1-Imidazolyl)benzoate (CAS# 86718-07-2) is a useful research chemical. |
Molecular Weight: | 216.24 |
Molecular Formula: | C12H12N2O2 |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)N2C=CN=C2 |
InChI: | InChI=1S/C12H12N2O2/c1-2-16-12(15)10-3-5-11(6-4-10)14-8-7-13-9-14/h3-9H,2H2,1H3 |
InChI Key: | JXZSKUXJSZZMON-UHFFFAOYSA-N |
Boiling Point: | 366 °C at 760 mmHg |
Density: | 1.15 g/cm3 |
LogP: | 2.04900 |
Publication Number | Title | Priority Date |
EP-2254871-B1 | Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations as ionic fluids | 20080130 |
US-9260397-B2 | Salts comprising aryl-alkyl-substituted imidazolium and triazolium cations and the use thereof | 20080130 |
DE-102005058206-A1 | Novel N-heterocyclic carbene complexes of platinum and palladium, their preparation and use | 20041130 |
DE-102005058206-B4 | N-heterocyclic carbene complexes of platinum and palladium and their use | 20041130 |
WO-2006058535-A2 | Novel n-heterocyclic platinum and palladium carbene complexes, production and use thereof for the partial oxidation of hydrocarbons | 20041130 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.08987763 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.08987763 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 44.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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