1-(bromomethyl)-2,3-dichlorobenzene

• ChemBase ID: 179955
• Molecular Formular: C7H5BrCl2
• Molecular Mass: 239.9246
• Monoisotopic Mass: 237.89516752
• SMILES: C(c1c(c(ccc1)Cl)Cl)Br
• Canonical SMILES: BrCc1cccc(c1Cl)Cl
• InChI: InChI=1S/C7H5BrCl2/c8-4-5-2-1-3-6(9)7(5)10/h1-3H,4H2
• InChIKey: PVIGUZZDWGININ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(bromomethyl)-2,3-dichlorobenzene
• IUPAC Traditional name: 1-(bromomethyl)-2,3-dichlorobenzene
• Synonyms: 2,3-Dichlorobenzyl bromide; 1-(Bromomethyl)-2,3-dichlorobenzene

Database IDs

• CAS Number: 57915-78-3
• MDL Number: MFCD03701317
• PubChem SID: 164235865
• PubChem CID: 2734602

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.9540725
• LogD (pH = 7.4): 3.9540725
• Log P: 3.9540725
• Molar Refractivity: 48.518 cm^3
• Polarizability: 18.787384 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%