667463-85-6
Product Name:
(2'Z,3'E)-6-BROMOINDIRUBIN-3'-ACETOXIME
Formula:
C18H12BrN3O3
Synonyms:
(2′Z,3′E)-6-Bromoindirubin-3′-acetoxime;(3Z)-3-[(3E)-3-[(Acetyloxy)imino]-1,3-dihydro-2H-indol-2-ylidene]-6-bromo-1,3-dihydro-2H-Indol-2-one;6-Bromoindirubin acetoxime;6-Bromoindirubin-3′-acetoxime;BIA
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SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Environment GHS09 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P273:Avoid release to the environment. P391:Collect spillage. Hazardous to the aquatic environment P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 398.2 g/mol |
|---|---|
| XLogP3 | 3.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 3 |
| Exact Mass | 397.00620 g/mol |
| Monoisotopic Mass | 397.00620 g/mol |
| Topological Polar Surface Area | 87 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 608 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |