1-bromo-2-(bromomethyl)-4-chlorobenzene

• ChemBase ID: 162763
• Molecular Formular: C7H5Br2Cl
• Molecular Mass: 284.3756
• Monoisotopic Mass: 281.84465184
• SMILES: c1cc(cc(c1Br)CBr)Cl
• Canonical SMILES: BrCc1cc(Cl)ccc1Br
• InChI: InChI=1S/C7H5Br2Cl/c8-4-5-3-6(10)1-2-7(5)9/h1-3H,4H2
• InChIKey: UTKGZXVMMFBCJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-2-(bromomethyl)-4-chlorobenzene
• IUPAC Traditional name: 1-bromo-2-(bromomethyl)-4-chlorobenzene
• Synonyms: 1-Bromo-2-(bromomethyl)-4-chloro-benzene; 2-Bromo-5-chlorobenzyl Bromide; 2-Bromo-1-bromomethyl-5-chlorobenzene

Database IDs

• CAS Number: 66192-24-3
• PubChem SID: 162256898
• PubChem CID: 11846505

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.1187806
• LogD (pH = 7.4): 4.1187806
• Log P: 4.1187806
• Molar Refractivity: 51.336 cm^3
• Polarizability: 19.867361 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform,
• Apperance: Colourless Oil