38594-42-2 Purity
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Specification
The molecular formula of 3-Bromo-2,2-dimethyl-1-propanol is C5H11BrO.
The molecular weight of 3-Bromo-2,2-dimethyl-1-propanol is 167.04 g/mol.
The IUPAC name of 3-Bromo-2,2-dimethyl-1-propanol is 3-bromo-2,2-dimethylpropan-1-ol.
The InChI of 3-Bromo-2,2-dimethyl-1-propanol is InChI=1S/C5H11BrO/c1-5(2,3-6)4-7/h7H,3-4H2,1-2H3.
The InChIKey of 3-Bromo-2,2-dimethyl-1-propanol is KQOQXYPZBYTICM-UHFFFAOYSA-N.
The canonical SMILES of 3-Bromo-2,2-dimethyl-1-propanol is CC(C)(CO)CBr.
The CAS number of 3-Bromo-2,2-dimethyl-1-propanol is 40894-00-6.
The XLogP3-AA value of 3-Bromo-2,2-dimethyl-1-propanol is 1.5.
3-Bromo-2,2-dimethyl-1-propanol has 1 hydrogen bond donor count.
3-Bromo-2,2-dimethyl-1-propanol has 2 rotatable bond count.