CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 956 965 976 |
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SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H303:Acute toxicity,oral |
Precautionary Statement Codes |
P270:Do not eat, drink or smoke when using this product. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P403:Store in a well-ventilated place. |
COMPUTED DESCRIPTORS
Molecular Weight | 432.10 g/mol |
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XLogP3 | 5.1 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 17 |
Rotatable Bond Count | 8 |
Exact Mass | 432.0006653 g/mol |
Monoisotopic Mass | 432.0006653 g/mol |
Topological Polar Surface Area | 20.2 Ų |
Heavy Atom Count | 26 |
Formal Charge | 0 |
Complexity | 508 |
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 |