276863-95-7
Product Name:
3-(4-chlorobutanoyl)-1H-indole-5-carbonitrile
Formula:
C13H11ClN2O
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Skull and Crossbones Acute Toxicity GHS06  Environment GHS09 |
| GHS Hazard Statements |
H301:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 246.69 g/mol |
|---|---|
| XLogP3 | 2.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 4 |
| Exact Mass | 246.0559907 g/mol |
| Monoisotopic Mass | 246.0559907 g/mol |
| Topological Polar Surface Area | 56.6 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 336 |
| 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 |