6-(Trifluoromethoxy)isatin - CAS 162252-92-8
Catalog: |
BB011853 |
Product Name: |
6-(Trifluoromethoxy)isatin |
CAS: |
162252-92-8 |
Synonyms: |
6-(trifluoromethoxy)-1H-indole-2,3-dione; 6-(trifluoromethoxy)-1H-indole-2,3-dione |
IUPAC Name: | 6-(trifluoromethoxy)-1H-indole-2,3-dione |
Description: | 6-(Trifluoromethoxy)isatin (CAS# 162252-92-8 ) is a useful research chemical. |
Molecular Weight: | 231.13 |
Molecular Formula: | C9H4F3NO3 |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)(F)F)NC(=O)C2=O |
InChI: | InChI=1S/C9H4F3NO3/c10-9(11,12)16-4-1-2-5-6(3-4)13-8(15)7(5)14/h1-3H,(H,13,14,15) |
InChI Key: | NHPRQRZWXLBANJ-UHFFFAOYSA-N |
Density: | 1.562 g/cm3 |
LogP: | 1.85800 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-108144650-A | A kind of preparation method of ammonium polyphosphate macromolecule catalysis material | 20171127 |
CN-108144650-B | Preparation method of high-molecular catalytic material for ammonium polyphosphate | 20171127 |
EP-3609896-A1 | Bromodomain inhibitors | 20170414 |
WO-2018188047-A1 | Bromodomain inhibitors | 20170414 |
US-2021130346-A1 | Bromodomain Inhibitors | 20170414 |
Complexity: | 329 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 231.01432748 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 231.01432748 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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