(5-fluoro-2-nitrophenyl)methanamine hydrochloride

• ChemBase ID: 269390
• Molecular Formular: C7H8ClFN2O2
• Molecular Mass: 206.6020232
• Monoisotopic Mass: 206.02583341
• SMILES: [N+](=O)(c1c(cc(cc1)F)CN)[O-].Cl
• Canonical SMILES: NCc1cc(F)ccc1[N+](=O)[O-].Cl
• InChI: InChI=1S/C7H7FN2O2.ClH/c8-6-1-2-7(10(11)12)5(3-6)4-9;/h1-3H,4,9H2;1H
• InChIKey: RAOWLYZZQLYYTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-2-nitrophenyl)methanamine hydrochloride
• IUPAC Traditional name: (5-fluoro-2-nitrophenyl)methanamine hydrochloride
• Synonyms: (5-fluoro-2-nitrophenyl)methanamine hydrochloride

Database IDs

• MDL Number: MFCD13194381
• PubChem SID: 164325300
• PubChem CID: 50988697

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6342785
• LogD (pH = 7.4): -0.15066779
• Log P: 1.1817003
• Molar Refractivity: 42.0725 cm^3
• Polarizability: 15.316603 Å^3
• Polar Surface Area: 71.84 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.9

Product Information

• Purity: 95%