CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 214.00 °C. @ 760.00 mm Hg |
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Melting Point | -55.00 °C. @ 760.00 mm Hg |
Solubility | 106 mg/L @ 20 °C (exp) |
LogP | 2.870 |
Kovats Retention Index | 1141.8 |
COMPUTED DESCRIPTORS
Molecular Weight | 152.23 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 152.120115130 g/mol |
Monoisotopic Mass | 152.120115130 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 181 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 3 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |