| CAS Number | 116140-28-4 |
| Catalog Number | AG019EUY(AGN-PC-00PKFG) |
| Chemical Name | Ethyl 5-phenylnicotinate |
| IUPAC Name | ethyl 5-phenylpyridine-3-carboxylate |
| InChI | InChI=1S/C14H13NO2/c1-2-17-14(16)13-8-12(9-15-10-13)11-6-4-3-5-7-11/h3-10H,2H2,1H3 |
| InChI Key | DZIRMLODMPLLRZ-UHFFFAOYSA-N |
| MDL Number | MFCD18416763 |
| Molecular Formula | C14H13NO2 |
| Molecular Weight | 227.2585 |
| SMILES | CCOC(=O)c1cncc(c1)-c1ccccc1 |
| Synonyms | Ethyl 5-phenylnicotinate,
116140-28-4,
SCHEMBL5372083,
DZIRMLODMPLLRZ-UHFFFAOYSA-N,
ethyl 5-phenyl-3-pyridinecarboxylate,
MFCD18416763,
ZINC34578841,
ethyl 5-phenylnicotinate(WXC06549),
CS-0036838,
5-Phenylpyridine-3-carboxylic acid ethyl ester,
ethyl 5-phenylpyridine-3-carboxylate,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.263g/mol |
| Monoisotopic Mass | 227.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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