81311-95-7 Purity
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Specification
The molecular formula is C5H9Cl3O.
The molecular weight is 191.48 g/mol.
Some synonyms include 3-chloro-2,2-bis(chloromethyl)propan-1-ol and NSC524090.
It was created on 2005-03-26 and last modified on 2023-12-30.
The IUPAC name is 3-chloro-2,2-bis(chloromethyl)propan-1-ol.
The InChIKey is VRWHPVMGJTYPLS-UHFFFAOYSA-N.
The Canonical SMILES representation is C(C(CCl)(CCl)CCl)O.
The CAS number is 813-99-0.
It has 1 hydrogen bond donor count.
Yes, it is canonicalized.