1-bromo-4-(2,2-dichlorocyclopropyl)benzene

• ChemBase ID: 122886
• Molecular Formular: C9H7BrCl2
• Molecular Mass: 265.96188
• Monoisotopic Mass: 263.91081758
• SMILES: C1(C(C1)c1ccc(cc1)Br)(Cl)Cl
• Canonical SMILES: ClC1(Cl)CC1c1ccc(cc1)Br
• InChI: InChI=1S/C9H7BrCl2/c10-7-3-1-6(2-4-7)8-5-9(8,11)12/h1-4,8H,5H2
• InChIKey: IAICCXQHVCREBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-4-(2,2-dichlorocyclopropyl)benzene
• IUPAC Traditional name: 1-bromo-4-(2,2-dichlorocyclopropyl)benzene
• Synonyms: 1-bromo-4-(2,2-dichlorocyclopropyl)benzene

Database IDs

• PubChem SID: 162217239
• PubChem CID: 15258971

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.069297
• LogD (pH = 7.4): 4.069297
• Log P: 4.069297
• Molar Refractivity: 56.37 cm^3
• Polarizability: 21.61578 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true