| CAS Number | 1426958-51-1 |
| Catalog Number | AG009X7X(AGN-PC-0WADX3) |
| Chemical Name | Methyl 4-amino-3-(phenylamino)benzoate |
| IUPAC Name | methyl 4-amino-3-anilinobenzoate |
| InChI | InChI=1S/C14H14N2O2/c1-18-14(17)10-7-8-12(15)13(9-10)16-11-5-3-2-4-6-11/h2-9,16H,15H2,1H3 |
| InChI Key | VEJJHWGOUQIAEN-UHFFFAOYSA-N |
| MDL Number | MFCD23699487 |
| Molecular Formula | C14H14N2O2 |
| Molecular Weight | 242.2732 |
| SMILES | COC(=O)c1ccc(c(c1)Nc1ccccc1)N |
| Synonyms | Methyl 4-amino-3-(phenylamino)benzoate,
1426958-51-1,
ZINC95217854,
AKOS021109623,
V3227,
C14H14N2O2,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 242.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.278g/mol |
| Monoisotopic Mass | 242.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 64.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
Lot Number