1-(bromomethyl)-3-(4-chlorophenoxy)benzene

• ChemBase ID: 235724
• Molecular Formular: C13H10BrClO
• Molecular Mass: 297.5749
• Monoisotopic Mass: 295.96035462
• SMILES: O(c1cc(CBr)ccc1)c1ccc(Cl)cc1
• Canonical SMILES: BrCc1cccc(c1)Oc1ccc(cc1)Cl
• InChI: InChI=1S/C13H10BrClO/c14-9-10-2-1-3-13(8-10)16-12-6-4-11(15)5-7-12/h1-8H,9H2
• InChIKey: WNXOJUBUEPIETE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-3-(4-chlorophenoxy)benzene
• IUPAC Traditional name: 1-(bromomethyl)-3-(4-chlorophenoxy)benzene
• Synonyms: 1-(bromomethyl)-3-(4-chlorophenoxy)benzene

Database IDs

• MDL Number: MFCD12547143
• PubChem SID: 164291634
• PubChem CID: 14718803

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.850315
• LogD (pH = 7.4): 4.850315
• Log P: 4.850315
• Molar Refractivity: 69.954 cm^3
• Polarizability: 27.006514 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 5.735

Product Information

• Purity: 95%