CAS
96-11-7 Purity
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96-11-7 Purity
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Specification
The molecular formula is C5H9Cl3.
The molecular weight is 175.48 g/mol.
The IUPAC name is 1,3-dichloro-2-(chloromethyl)-2-methylpropane.
The InChI is InChI=1S/C5H9Cl3/c1-5(2-6,3-7)4-8/h2-4H2,1H3.
The InChIKey is BYXOMFFBGDPXHB-UHFFFAOYSA-N.
The Canonical SMILES is CC(CCl)(CCl)CCl.
The CAS number is 1067-09-0.
The EC Number is 628-608-7.
The XLogP3-AA value is 2.7.
Yes, it is a canonicalized compound according to PubChem.