CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid |
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Chemical Classes | UVCB |
SAFETY INFORMATION
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H226:Flammable liquids H312:Acute toxicity,dermal H315:Skin corrosion/irritation H332:Acute toxicity,inhalation H361:Reproductive toxicity |
Precautionary Statement Codes |
P201:Obtain special instructions before use. P202:Do not handle until all safety precautions have been read and understood. P262:Do not get in eyes, on skin, or on clothing. P280:Wear protective gloves/protective clothing/eye protection/face protection. P308+P313:IF exposed or concerned: Get medical advice/attention. P405:Store locked up. |
COMPUTED DESCRIPTORS
Molecular Weight | 638.6 g/mol |
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Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 6 |
Rotatable Bond Count | 12 |
Exact Mass | 638.30201 g/mol |
Monoisotopic Mass | 638.30201 g/mol |
Topological Polar Surface Area | 120 Ų |
Heavy Atom Count | 31 |
Formal Charge | 0 |
Complexity | 93.9 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 3 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 4 |
Compound Is Canonicalized | Yes |