6-Bromoisatin - CAS 6326-79-0
Catalog: |
BB032083 |
Product Name: |
6-Bromoisatin |
CAS: |
6326-79-0 |
Synonyms: |
6-bromo-1H-indole-2,3-dione; 6-bromo-1H-indole-2,3-dione |
IUPAC Name: | 6-bromo-1H-indole-2,3-dione |
Description: | Antimicrobial. |
Molecular Weight: | 226.03 |
Molecular Formula: | C8H4BrNO2 |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC(=O)C2=O |
InChI: | InChI=1S/C8H4BrNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12) |
InChI Key: | HVPQMLZLINVIHW-UHFFFAOYSA-N |
Density: | 1.826 g/cm3 |
LogP: | 1.72190 |
GHS Hazard Statement: | H302 (80%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P272, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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PMID | Publication Date | Title | Journal |
22363221 | 20120101 | Marine compounds selectively induce apoptosis in female reproductive cancer cells but not in primary-derived human reproductive granulosa cells | Marine drugs |
21188578 | 20110301 | Novel methodology for the extraction and identification of natural dyestuffs in historical textiles by HPLC-UV-Vis-ESI MS. Case study: chasubles from the Wawel Cathedral collection | Analytical and bioanalytical chemistry |
19491143 | 20110101 | Bioactivity of the Murex Homeopathic Remedy and of Extracts from an Australian Muricid Mollusc against Human Cancer Cells | Evidence-based complementary and alternative medicine : eCAM |
20056518 | 20100301 | QSAR study of isatin analogues as in vitro anti-cancer agents | European journal of medicinal chemistry |
20150770 | 20100301 | Enhanced acute apoptotic response to azoxymethane-induced DNA damage in the rodent colonic epithelium by Tyrian purple precursors: a potential colorectal cancer chemopreventative | Cancer biology & therapy |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.94254 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.94254 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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