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The molecular formula is C8H16Cl6O3.
The molecular weight is 372.9 g/mol.
The synonyms are Chlorobutanol hemihydrate, Chlorbutanol Hemihydrate, 1,1,1-trichloro-2-methylpropan-2-ol;hydrate.
The IUPAC name is 1,1,1-trichloro-2-methylpropan-2-ol;hydrate.
The InChI is InChI=1S/2C4H7Cl3O.H2O/c2*1-3(2,8)4(5,6)7;/h2*8H,1-2H3;1H2.
The InChIKey is WRWLCXJYIMRJIN-UHFFFAOYSA-N.
The canonical SMILES is CC(C)(C(Cl)(Cl)Cl)O.CC(C)(C(Cl)(Cl)Cl)O.O.
The CAS number is 6001-64-5.
Yes, it is a covalently-bonded unit with a count of 3.
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