| CAS Number | 1311383-63-7 |
| Catalog Number | AG01A3VM |
| Chemical Name | Methyl 2-[(4-nitrophenyl)amino]propanoate |
| IUPAC Name | methyl 2-(4-nitroanilino)propanoate |
| InChI | InChI=1S/C10H12N2O4/c1-7(10(13)16-2)11-8-3-5-9(6-4-8)12(14)15/h3-7,11H,1-2H3 |
| InChI Key | IVJIPLQGUWDKSX-UHFFFAOYSA-N |
| MDL Number | MFCD12189072 |
| Molecular Formula | C10H12N2O4 |
| Molecular Weight | 224.2133 |
| SMILES | COC(C(NC1=CC=C([N+]([O-])=O)C=C1)C)=O |
| Synonyms | methyl 2-[(4-nitrophenyl)amino]propanoate,
1311383-63-7,
NE54474,
N-(4-nitrophenyl)Alanine methyl ester,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.216g/mol |
| Monoisotopic Mass | 224.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 84.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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