hydrogen methyl 2-(2-aminophenyl)acetate chloride

• ChemBase ID: 288366
• Molecular Formular: C9H11ClNO2-
• Molecular Mass: 200.64214
• Monoisotopic Mass: 200.04783128
• SMILES: c1c(CC(=O)OC)c(ccc1)N.[Cl-]
• Canonical SMILES: COC(=O)Cc1ccccc1N.[Cl-]
• InChI: InChI=1S/C9H11NO2.ClH/c1-12-9(11)6-7-4-2-3-5-8(7)10;/h2-5H,6,10H2,1H3;1H/p-1
• InChIKey: OZMUKUBEEKGADM-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen methyl 2-(2-aminophenyl)acetate chloride
• IUPAC Traditional name: hydrogen methyl 2-(2-aminophenyl)acetate chloride
• Synonyms: H-D-Phg-OMe HCl

Database IDs

• CAS Number: 19883-41-1
• MDL Number: MFCD00137487
• PubChem SID: 180673897
• PubChem CID: 46856268

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.92253256
• LogD (pH = 7.4): 0.9278934
• Log P: 0.9279622
• Molar Refractivity: 46.8351 cm^3
• Polarizability: 17.755697 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 96%