CAS
94160-30-2 Purity
96%
94160-30-2 Purity
96%
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Specification
The molecular formula is C15H21ClO3.
It was created on 2005-08-08.
The IUPAC name is 2-methylpropyl 4-(4-chloro-2-methylphenoxy)butanoate.
The InChIKey is YWYRKYNYHRGXSR-UHFFFAOYSA-N.
The Canonical SMILES is CC1=C(C=CC(=C1)Cl)OCCCC(=O)OCC(C)C.
The molecular weight is 284.78 g/mol.
It has 3 Hydrogen Bond Acceptor Count.
The Topological Polar Surface Area is 35.5 Ų.
Yes, the Compound Is Canonicalized.
It has 8 Rotatable Bond Count.