| CAS Number | 259537-23-0 |
| Catalog Number | AG019KXZ(AGN-PC-0JXVD5) |
| Chemical Name | methyl 2-[(phenoxycarbonyl)amino]benzoate |
| IUPAC Name | methyl 2-(phenoxycarbonylamino)benzoate |
| InChI | InChI=1S/C15H13NO4/c1-19-14(17)12-9-5-6-10-13(12)16-15(18)20-11-7-3-2-4-8-11/h2-10H,1H3,(H,16,18) |
| InChI Key | UWPAYCMISNVEGF-UHFFFAOYSA-N |
| MDL Number | MFCD02216684 |
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.2680 |
| SMILES | COC(C1=C(NC(OC2=CC=CC=C2)=O)C=CC=C1)=O |
| Synonyms | methyl 2-[(phenoxycarbonyl)amino]benzoate,
259537-23-0,
AC1LIH75,
Oprea1_576296,
Oprea1_706900,
AC1Q42Q6,
SCHEMBL3783571,
CTK6J0717,
UWPAYCMISNVEGF-UHFFFAOYSA-N,
ZINC484525,
methyl 2-N-phenoxycarbonylanthranilate,
AKOS001430837,
MCULE-9701789674,
methyl 2-(phenoxycarbonylamino)benzoate,
NE43893,
EN300-28950,
2-N-phenoxycarbonylanthranilic acid methylester,
CID904034,
ZINC00484525,
|
| 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 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number