≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488194961 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488194961 |
| Canonical Smiles | COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2 |
| IUPAC Name | methyl 4-(phenylcarbamoyl)benzoate |
| InChIKey | XTAGEOVGQDJRIC-UHFFFAOYSA-N |
| INCHI | 1S/C15H13NO3/c1-19-15(18)12-9-7-11(8-10-12)14(17)16-13-5-3-2-4-6-13/h2-10H,1H3,(H,16,17) |
| Isomeric SMILES | COC(=O)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2 |
| Molecular Weight | 255.269 |
| Reaxy-Rn | 2380869 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2380869&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Anilides |
| Intermediate Tree Nodes | Aromatic anilides |
| Direct Parent | Benzanilides |
| Alternative Parents | Benzoic acid esters Benzamides Benzoyl derivatives Methyl esters Secondary carboxylic acid amides Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzanilide - Benzoate ester - Benzamide - Benzoic acid or derivatives - Benzoyl - Methyl ester - Secondary carboxylic acid amide - Carboxylic acid ester - Carboxamide group - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene. |
| External Descriptors | Not available |
| Melt Point(°C) | 194 °C |
|---|---|
| Molecular Weight | 255.270 g/mol |
| XLogP3 | 3.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 4 |
| Exact Mass | 255.09 Da |
| Monoisotopic Mass | 255.09 Da |
| Topological Polar Surface Area | 55.400 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 315.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
E1723115