| CAS Number | 941133-48-8 |
| Catalog Number | AG019KP7 |
| Chemical Name | Methyl 3-((phenoxycarbonyl)amino)benzoate |
| IUPAC Name | methyl 3-(phenoxycarbonylamino)benzoate |
| InChI | InChI=1S/C15H13NO4/c1-19-14(17)11-6-5-7-12(10-11)16-15(18)20-13-8-3-2-4-9-13/h2-10H,1H3,(H,16,18) |
| InChI Key | ZHUIJFCCDRKMMM-UHFFFAOYSA-N |
| MDL Number | MFCD09396669 |
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.268 |
| SMILES | O=C(OC)C1=CC=CC(NC(OC2=CC=CC=C2)=O)=C1 |
| Synonyms | methyl 3-[(phenoxycarbonyl)amino]benzoate,
941133-48-8,
AC1Q432W,
CTK6J0496,
ZINC12505679,
AKOS008919147,
MCULE-5232967374,
NE14264,
EN300-27861,
Z29849524,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.272g/mol |
| Monoisotopic Mass | 271.084g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number