1076225-27-8
Product Name:
4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
Formula:
C14H14F3NO
Synonyms:
4-((1R,2R)-2-Hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 269.26 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 269.10274856 g/mol |
| Monoisotopic Mass | 269.10274856 g/mol |
| Topological Polar Surface Area | 44 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 359 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |