54555-84-9 Purity
96%
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Specification
The molecular formula of 3-Chloro-3-methylpentane is C6H13Cl.
The molecular weight of 3-Chloro-3-methylpentane is 120.62 g/mol.
The IUPAC name of 3-Chloro-3-methylpentane is 3-chloro-3-methylpentane.
The InChI of 3-Chloro-3-methylpentane is InChI=1S/C6H13Cl/c1-4-6(3,7)5-2/h4-5H2,1-3H3.
The InChIKey of 3-Chloro-3-methylpentane is SGWJUIFOPCZXMR-UHFFFAOYSA-N.
The canonical SMILES of 3-Chloro-3-methylpentane is CCC(C)(CC)Cl.
The CAS number of 3-Chloro-3-methylpentane is 918-84-3.
The XLogP3 value of 3-Chloro-3-methylpentane is 3.
There are 2 rotatable bonds present in 3-Chloro-3-methylpentane.
Yes, 3-Chloro-3-methylpentane is a canonicalized compound.