CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 1882 |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H302:Acute toxicity,oral H413:Hazardous to the aquatic environment, long-term hazard |
COMPUTED DESCRIPTORS
Molecular Weight | 195.26 g/mol |
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XLogP3 | 3.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
Exact Mass | 195.104799419 g/mol |
Monoisotopic Mass | 195.104799419 g/mol |
Topological Polar Surface Area | 12.4 Ų |
Heavy Atom Count | 15 |
Formal Charge | 0 |
Complexity | 195 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |