1-(1-bromoethyl)-2-chloro-4,5-dimethoxybenzene

• ChemBase ID: 241833
• Molecular Formular: C10H12BrClO2
• Molecular Mass: 279.55808
• Monoisotopic Mass: 277.9709193
• SMILES: c1(c(cc(c(c1)OC)OC)Cl)C(Br)C
• Canonical SMILES: COc1cc(C(Br)C)c(cc1OC)Cl
• InChI: InChI=1S/C10H12BrClO2/c1-6(11)7-4-9(13-2)10(14-3)5-8(7)12/h4-6H,1-3H3
• InChIKey: YSEDIHJUCBUKGK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-bromoethyl)-2-chloro-4,5-dimethoxybenzene
• IUPAC Traditional name: 1-(1-bromoethyl)-2-chloro-4,5-dimethoxybenzene
• Synonyms: 1-(1-bromoethyl)-2-chloro-4,5-dimethoxybenzene

Database IDs

• MDL Number: MFCD12790266
• PubChem SID: 164297743
• PubChem CID: 61098565

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.4512603
• LogD (pH = 7.4): 3.4512603
• Log P: 3.4512603
• Molar Refractivity: 61.0584 cm^3
• Polarizability: 23.714098 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 3.896

Product Information

• Purity: 95%