2-(4-bromophenoxy)ethanimidamide

• ChemBase ID: 307287
• Molecular Formular: C8H9BrN2O
• Molecular Mass: 229.07386
• Monoisotopic Mass: 227.98982492
• SMILES: C(=N)(COc1ccc(Br)cc1)N
• Canonical SMILES: NC(=N)COc1ccc(cc1)Br
• InChI: InChI=1S/C8H9BrN2O/c9-6-1-3-7(4-2-6)12-5-8(10)11/h1-4H,5H2,(H3,10,11)
• InChIKey: MBPGHKNUEBQRJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-bromophenoxy)ethanimidamide
• IUPAC Traditional name: 2-(4-bromophenoxy)ethanimidamide
• Synonyms: 2-(4-bromophenoxy)ethanimidamide

Database IDs

• CAS Number: 777801-29-3
• MDL Number: MFCD08059924

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.0826991
• LogD (pH = 7.4): -0.71220344
• Log P: 1.325196
• Molar Refractivity: 60.6449 cm^3
• Polarizability: 19.39545 Å^3
• Polar Surface Area: 59.1 Å^2