1320-66-7
Product Name:
Chlorobutanol
Formula:
C4H7Cl3O
Synonyms:
β,β,β-Trichloro-tert-butyl alcohol hemihydrate;‘Acetone chloroform’;‘Chlorobutanol’;1,1,1-Trichloro-2-methyl-2-propanol hemihydrate
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COMPUTED DESCRIPTORS
| Molecular Weight | 108.57 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 108.0341926 g/mol |
| Monoisotopic Mass | 108.0341926 g/mol |
| Topological Polar Surface Area | 20.2 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 30.7 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |