CHEMICAL AND PHYSICAL PROPERTIES
Collision Cross Section | 187.62 Ų [M-H-CO2]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] 209.19 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Dataset: PFAS] |
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Chemical Classes | PFAS |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Exclamation Mark Irritant GHS07 Health Hazard GHS08 |
GHS Hazard Statements |
H351:Carcinogenicity H362:Reproductive toxicity, effects on or via lactation H372:Specific target organ toxicity, repeated exposure |
Precautionary Statement Codes |
P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P263:Avoid contact during pregnancy/while nursing. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
Molecular Weight | 714.11 g/mol |
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XLogP3 | 9 |
Hydrogen Bond Donor Count | 1 |
Hydrogen Bond Acceptor Count | 29 |
Rotatable Bond Count | 12 |
Exact Mass | 713.9545396 g/mol |
Monoisotopic Mass | 713.9545396 g/mol |
Topological Polar Surface Area | 37.3 Ų |
Heavy Atom Count | 43 |
Formal Charge | 0 |
Complexity | 1060 |
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 |