1-bromo-3-(1-bromoethyl)benzene

• ChemBase ID: 236360
• Molecular Formular: C8H8Br2
• Molecular Mass: 263.95712
• Monoisotopic Mass: 261.89927426
• SMILES: c1(cc(Br)ccc1)C(Br)C
• Canonical SMILES: Brc1cccc(c1)C(Br)C
• InChI: InChI=1S/C8H8Br2/c1-6(9)7-3-2-4-8(10)5-7/h2-6H,1H3
• InChIKey: UIQXKUFHSPYYDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(1-bromoethyl)benzene
• IUPAC Traditional name: 1-bromo-3-(1-bromoethyl)benzene
• Synonyms: 1-bromo-3-(1-bromoethyl)benzene

Database IDs

• MDL Number: MFCD11180269
• PubChem SID: 164292270
• PubChem CID: 20223870

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.931311
• LogD (pH = 7.4): 3.931311
• Log P: 3.931311
• Molar Refractivity: 50.95 cm^3
• Polarizability: 19.648924 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 4.316

Product Information

• Purity: 95%