5-bromonaphthalene-1-carboxamide

• ChemBase ID: 308834
• Molecular Formular: C11H8BrNO
• Molecular Mass: 250.09132
• Monoisotopic Mass: 248.97892588
• SMILES: c12c(C(=O)N)cccc1c(Br)ccc2
• Canonical SMILES: NC(=O)c1cccc2c1cccc2Br
• InChI: InChI=1S/C11H8BrNO/c12-10-6-2-3-7-8(10)4-1-5-9(7)11(13)14/h1-6H,(H2,13,14)
• InChIKey: LACXAOKQABXJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromonaphthalene-1-carboxamide
• IUPAC Traditional name: 5-bromonaphthalene-1-carboxamide
• Synonyms: 5-bromo-1-naphthamide

Database IDs

• CAS Number: 22531-59-5
• MDL Number: MFCD12198491

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.5821152
• LogD (pH = 7.4): 2.5821154
• Log P: 2.5821154
• Molar Refractivity: 59.2094 cm^3
• Polarizability: 23.363367 Å^3
• Polar Surface Area: 43.09 Å^2