CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 321.42 |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 Health Hazard GHS08 Environment GHS09 |
GHS Hazard Statements |
H373:Specific target organ toxicity, repeated exposure H411:Hazardous to the aquatic environment, long-term hazard |
Precautionary Statement Codes |
P262:Do not get in eyes, on skin, or on clothing. P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 183.12 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 0 |
Exact Mass | 183.02800565 g/mol |
Monoisotopic Mass | 183.02800565 g/mol |
Topological Polar Surface Area | 118 Ų |
Heavy Atom Count | 13 |
Formal Charge | 0 |
Complexity | 199 |
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 |