methyl (2R)-2-amino-2-(4-chlorophenyl)acetate

• ChemBase ID: 293674
• Molecular Formular: C9H10ClNO2
• Molecular Mass: 199.6342
• Monoisotopic Mass: 199.04000625
• SMILES: O=C(OC)[C@H](N)c1ccc(Cl)cc1
• Canonical SMILES: COC(=O)[C@@H](c1ccc(cc1)Cl)N
• InChI: InChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3/t8-/m1/s1
• InChIKey: WEWZTDMEYWXSRG-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-2-amino-2-(4-chlorophenyl)acetate
• IUPAC Traditional name: methyl (2R)-2-amino-2-(4-chlorophenyl)acetate
• Synonyms: (R)-Methyl 2-amino-2-(4-chlorophenyl)acetate

Database IDs

• CAS Number: 43189-43-1
• MDL Number: MFCD07784110
• PubChem SID: 180679205
• PubChem CID: 7067069

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.37061384
• LogD (pH = 7.4): 1.4688234
• Log P: 1.5388926
• Molar Refractivity: 49.9352 cm^3
• Polarizability: 20.023363 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%