| CAS Number | 186891-10-1 |
| Catalog Number | AG01AJ44(AGN-PC-0JXO5I) |
| Chemical Name | 2-(4-phenoxybenzamido)benzoic acid |
| IUPAC Name | 2-[(4-phenoxybenzoyl)amino]benzoic acid |
| InChI | InChI=1S/C20H15NO4/c22-19(21-18-9-5-4-8-17(18)20(23)24)14-10-12-16(13-11-14)25-15-6-2-1-3-7-15/h1-13H,(H,21,22)(H,23,24) |
| InChI Key | JGJOCGGZCJCKRX-UHFFFAOYSA-N |
| MDL Number | MFCD01024847 |
| Molecular Formula | C20H15NO4 |
| Molecular Weight | 333.3374 |
| SMILES | OC(C1=C(NC(C2=CC=C(OC3=CC=CC=C3)C=C2)=O)C=CC=C1)=O |
| Synonyms | 2-(4-phenoxybenzamido)benzoic acid,
186891-10-1,
AC1LHQFR,
2-[(4-phenoxybenzoyl)amino]benzoic Acid,
Oprea1_782692,
CHEMBL128052,
SCHEMBL2292518,
ZINC467029,
STK388500,
AKOS005432031,
MCULE-1202833051,
NE26531,
2-[(4-phenoxybenzene)amido]benzoic acid,
ST50858403,
EN300-79724,
2-[(4-phenoxyphenyl)carbonylamino]benzoic acid,
2-{[(4-phenoxyphenyl)carbonyl]amino}benzoic acid,
SR-01000263543,
SR-01000263543-1,
Z85878902,
CID891473,
|
| Complexity | 453 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 333.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 333.343g/mol |
| Monoisotopic Mass | 333.1g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number