N-(2,4-Dinitrophenyl)-L-alanine methyl ester

• CAS: 10420-63-0
• Catalog Number: ACM10420630
• Category: Other Products
• Molecular Weight: 269.21g/mol
• Molecular Formula: C10H11N3O6
• IUPAC Name: methyl (2S)-2-(2,4-dinitroanilino)propanoate
• Canonical SMILES: CC(C(=O)OC)NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C10H11N3O6/c1-6(10(14)19-2)11-8-4-3-7(12(15)16)5-9(8)13(17)18/h3-6,11H,1-2H3/t6-/m0/s1
• InChI Key: RXDDNUKGTCKLDT-LURJTMIESA-N
• Complexity: 363
• Covalently-Bonded Unit Count: 1
• Exact Mass: 269.064785g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 269.064785g/mol
• Rotatable Bond Count: 4
• XLogP3: 2.5