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Specification
The molecular formula of 2-Bromo-1-(4-chlorophenyl)ethylene is C8H6BrCl.
The molecular weight of 2-Bromo-1-(4-chlorophenyl)ethylene is 217.49 g/mol.
The IUPAC name of 2-Bromo-1-(4-chlorophenyl)ethylene is 1-[(E)-2-bromoethenyl]-4-chlorobenzene.
The InChI of 2-Bromo-1-(4-chlorophenyl)ethylene is InChI=1S/C8H6BrCl/c9-6-5-7-1-3-8(10)4-2-7/h1-6H/b6-5+.
The InChIKey of 2-Bromo-1-(4-chlorophenyl)ethylene is ZTBMGKTZOOAZBH-AATRIKPKSA-N.
The Canonical SMILES of 2-Bromo-1-(4-chlorophenyl)ethylene is C1=CC(=CC=C1C=CBr)Cl.
The Isomeric SMILES of 2-Bromo-1-(4-chlorophenyl)ethylene is C1=CC(=CC=C1/C=C/Br)Cl.
The CAS number of 2-Bromo-1-(4-chlorophenyl)ethylene is 125428-11-7.
The XLogP3 value of 2-Bromo-1-(4-chlorophenyl)ethylene is 3.3.
Yes, 2-Bromo-1-(4-chlorophenyl)ethylene is a canonicalized compound.