CHEMICAL AND PHYSICAL PROPERTIES
Chemical Classes | UVCB |
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SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Health Hazard GHS08 |
GHS Hazard Statements |
H226:Flammable liquids H304:Aspiration hazard H340:Germ cell mutagenicity H350:Carcinogenicity H372:Specific target organ toxicity, repeated exposure |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 398.2 g/mol |
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Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 4 |
Rotatable Bond Count | 0 |
Exact Mass | 398.024144 g/mol |
Monoisotopic Mass | 398.024144 g/mol |
Topological Polar Surface Area | 80.3 Ų |
Heavy Atom Count | 27 |
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 | 3 |
Compound Is Canonicalized | Yes |