CAS
6952-89-2 Purity
98%
6952-89-2 Purity
98%
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Specification
The molecular formula is C9H9BrCl2O.
The molecular weight is 283.97 g/mol.
The IUPAC name is 1-(3-bromopropoxy)-2,4-dichlorobenzene.
The InChI is InChI=1S/C9H9BrCl2O/c10-4-1-5-13-9-3-2-7(11)6-8(9)12/h2-3,6H,1,4-5H2.
The InChIKey is ULFFEDBFOCOYOH-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1Cl)Cl)OCCCBr.
The CAS number is 6954-78-5.
The XLogP3 value is 4.8.
Yes, it is a canonicalized compound.