4-(bromomethyl)-1-chloro-2-methoxybenzene

• ChemBase ID: 294433
• Molecular Formular: C8H8BrClO
• Molecular Mass: 235.50552
• Monoisotopic Mass: 233.94470456
• SMILES: COc1cc(CBr)ccc1Cl
• Canonical SMILES: COc1cc(CBr)ccc1Cl
• InChI: InChI=1S/C8H8BrClO/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4H,5H2,1H3
• InChIKey: PLBDOPBECRIDKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(bromomethyl)-1-chloro-2-methoxybenzene
• IUPAC Traditional name: 4-(bromomethyl)-1-chloro-2-methoxybenzene
• Synonyms: 4-(Bromomethyl)-1-chloro-2-methoxybenzene

Database IDs

• CAS Number: 103347-14-4
• MDL Number: MFCD09907927
• PubChem SID: 180679964
• PubChem CID: 13662859

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.1923566
• LogD (pH = 7.4): 3.1923566
• Log P: 3.1923566
• Molar Refractivity: 50.1764 cm^3
• Polarizability: 19.357616 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%