1-(4-bromophenyl)cyclopropane-1-carboxamide

• ChemBase ID: 802755
• Molecular Formular: C10H10BrNO
• Molecular Mass: 240.0965
• Monoisotopic Mass: 238.99457595
• SMILES: C1(CC1)(C(=O)N)c1ccc(cc1)Br
• Canonical SMILES: NC(=O)C1(CC1)c1ccc(cc1)Br
• InChI: InChI=1S/C10H10BrNO/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H2,12,13)
• InChIKey: WEBHXXBBDYMULJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-bromophenyl)cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-(4-bromophenyl)cyclopropane-1-carboxamide
• Synonyms: 1-(4-BROMOPHENYL)-1-CYCLOPROPANECARBOXYLIC ACID AMIDE

CALCULATED PROPERTIES

• Acid pKa: 15.002669
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.2080789
• LogD (pH = 7.4): 2.2080789
• Log P: 2.2080789
• Molar Refractivity: 54.0839 cm^3
• Polarizability: 20.973528 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%