| CAS Number | 1369265-53-1 |
| Catalog Number | AG019EKZ |
| Chemical Name | Ethyl 3-(phenylamino)benzoate |
| IUPAC Name | ethyl 3-anilinobenzoate |
| InChI | InChI=1S/C15H15NO2/c1-2-18-15(17)12-7-6-10-14(11-12)16-13-8-4-3-5-9-13/h3-11,16H,2H2,1H3 |
| InChI Key | IFERRBZMLVXUEE-UHFFFAOYSA-N |
| MDL Number | MFCD31652791 |
| Molecular Formula | C15H15NO2 |
| Molecular Weight | 241.2851 |
| SMILES | CCOC(=O)c1cccc(c1)Nc1ccccc1 |
| Synonyms | Ethyl 3-(phenylamino)benzoate,
1369265-53-1,
SCHEMBL7107744,
IFERRBZMLVXUEE-UHFFFAOYSA-N,
3-(Phenylamino)benzoic acid ethyl ester,
CS-0059782,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.29g/mol |
| Monoisotopic Mass | 241.11g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
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