2-amino-4-methoxy-5-nitrophenol

• ChemBase ID: 238126
• Molecular Formular: C7H8N2O4
• Molecular Mass: 184.14942
• Monoisotopic Mass: 184.04840675
• SMILES: c1([N+](=O)[O-])cc(c(cc1OC)N)O
• Canonical SMILES: COc1cc(N)c(cc1[N+](=O)[O-])O
• InChI: InChI=1S/C7H8N2O4/c1-13-7-2-4(8)6(10)3-5(7)9(11)12/h2-3,10H,8H2,1H3
• InChIKey: MWTACRQOFSROOC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4-methoxy-5-nitrophenol
• IUPAC Traditional name: 2-amino-4-methoxy-5-nitrophenol
• Synonyms: 2-amino-4-methoxy-5-nitrophenol

Database IDs

• MDL Number: MFCD22375344
• PubChem SID: 164294036
• PubChem CID: 19768136

CALCULATED PROPERTIES

• Acid pKa: 9.543648
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.6230197
• LogD (pH = 7.4): 0.6199766
• Log P: 0.62306744
• Molar Refractivity: 46.5272 cm^3
• Polarizability: 16.591543 Å^3
• Polar Surface Area: 101.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.924

Product Information

• Purity: 95%