6-Iodoisatin - CAS 20780-77-2
Catalog: |
BB016294 |
Product Name: |
6-Iodoisatin |
CAS: |
20780-77-2 |
Synonyms: |
6-iodo-1H-indole-2,3-dione; 6-iodo-1H-indole-2,3-dione |
IUPAC Name: | 6-iodo-1H-indole-2,3-dione |
Description: | 6-Iodoisatin (CAS# 20780-77-2) is a useful research chemical. |
Molecular Weight: | 273.03 |
Molecular Formula: | C8H4INO2 |
Canonical SMILES: | C1=CC2=C(C=C1I)NC(=O)C2=O |
InChI: | InChI=1S/C8H4INO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12) |
InChI Key: | PHKAOEGXBSERHX-UHFFFAOYSA-N |
LogP: | 1.56400 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111574426-A | Diamine monomer containing isoindigo structure and black polyimide synthesized from diamine monomer | 20200527 |
EP-3733670-A1 | Tetrahydropyrrole compound, preparation method therefor, pharmaceutical composition containing same, and use thereof | 20171226 |
AU-2017276457-A1 | Novel heterocyclic derivatives useful as SHP2 inhibitors | 20160607 |
AU-2017276457-B2 | Novel heterocyclic derivatives useful as SHP2 inhibitors | 20160607 |
CA-3026784-A1 | Heterocyclic pyrazine derivatives useful as shp2 inhibitors | 20160607 |
Complexity: | 241 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.92868 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.92868 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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