58816-69-6
Product Name:
SB 297006
Formula:
C18H18N2O5
Synonyms:
N-Benzoyl-4-nitro-L-phenylalanine ethyl ester
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H400:Hazardous to the aquatic environment, acute hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. |
COMPUTED DESCRIPTORS
| Molecular Weight | 342.3 g/mol |
|---|---|
| XLogP3 | 3.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 342.12157168 g/mol |
| Monoisotopic Mass | 342.12157168 g/mol |
| Topological Polar Surface Area | 101 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 463 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |