4-bromobenzene-1-carboximidamide

• ChemBase ID: 307227
• Molecular Formular: C7H7BrN2
• Molecular Mass: 199.04788
• Monoisotopic Mass: 197.97926023
• SMILES: C(=N)(c1ccc(cc1)Br)N
• Canonical SMILES: NC(=N)c1ccc(cc1)Br
• InChI: InChI=1S/C7H7BrN2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H3,9,10)
• InChIKey: JODFDXUBCBQKNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-bromobenzene-1-carboximidamide
• IUPAC Traditional name: 4-bromobenzenecarboximidamide
• Synonyms: 4-bromobenzenecarboximidamide

Database IDs

• CAS Number: 22265-36-7
• MDL Number: MFCD05662836

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.752848
• LogD (pH = 7.4): -0.7417127
• Log P: 1.6624669
• Molar Refractivity: 55.3533 cm^3
• Polarizability: 16.821556 Å^3
• Polar Surface Area: 49.87 Å^2