SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H340:Germ cell mutagenicity H350:Carcinogenicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 425.5 g/mol |
---|---|
XLogP3 | 3.7 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 9 |
Exact Mass | 425.18383758 g/mol |
Monoisotopic Mass | 425.18383758 g/mol |
Topological Polar Surface Area | 102 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 664 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 1 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |