| CAS Number | 1375068-86-2 |
| Catalog Number | AG009X7C(AGN-PC-0WA5XU) |
| Chemical Name | 2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid |
| IUPAC Name | 2-[4-(methoxycarbonylamino)phenyl]benzoic acid |
| InChI | InChI=1S/C15H13NO4/c1-20-15(19)16-11-8-6-10(7-9-11)12-4-2-3-5-13(12)14(17)18/h2-9H,1H3,(H,16,19)(H,17,18) |
| InChI Key | RGQAFZMARKRNKJ-UHFFFAOYSA-N |
| MDL Number | MFCD22205810 |
| Molecular Formula | C15H13NO4 |
| Molecular Weight | 271.2680 |
| SMILES | COC(=O)Nc1ccc(cc1)c1ccccc1C(=O)O |
| Synonyms | 1375068-86-2,
2-[4-[(Methoxycarbonylamino)phenyl]benzoic acid,
4'-((Methoxycarbonyl)amino)-[1,1'-biphenyl]-2-carboxylic acid,
KM3933,
MFCD22205810,
ZINC95495643,
AKOS027253112,
V2740,
2-[4-(METHOXYCARBONYLAMINO)PHENYL]BENZOIC ACID,
C15H13NO4,
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| Complexity | 350 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.272g/mol |
| Monoisotopic Mass | 271.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number