1-(6-Bromo-3-indolyl)-2,2,2-trifluoroethanone - CAS 79878-02-7
Catalog: |
BB036420 |
Product Name: |
1-(6-Bromo-3-indolyl)-2,2,2-trifluoroethanone |
CAS: |
79878-02-7 |
Synonyms: |
1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone; 1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone |
IUPAC Name: | 1-(6-bromo-1H-indol-3-yl)-2,2,2-trifluoroethanone |
Description: | 1-(6-Bromo-3-indolyl)-2,2,2-trifluoroethanone (CAS# 79878-02-7 ) is a useful research chemical. |
Molecular Weight: | 292.05 |
Molecular Formula: | C10H5BrF3NO |
Canonical SMILES: | C1=CC2=C(C=C1Br)NC=C2C(=O)C(F)(F)F |
InChI: | InChI=1S/C10H5BrF3NO/c11-5-1-2-6-7(4-15-8(6)3-5)9(16)10(12,13)14/h1-4,15H |
InChI Key: | NUILEHCMTCIUPS-UHFFFAOYSA-N |
LogP: | 3.67540 |
Publication Number | Title | Priority Date |
EP-3632910-A1 | Lactam compound as fxr receptor agonist | 20170526 |
TW-201718611-A | Phosphonate compound for treating medical conditions | 20150826 |
US-10000516-B2 | Phosphonate compounds for treatment of medical disorders | 20150826 |
US-2017057983-A1 | Phosphonate Compounds for Treatment of Medical Disorders | 20150826 |
WO-2017035357-A1 | Phosphonate compounds for treatment of medical disorders | 20150826 |
Complexity: | 294 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 290.95066 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 290.95066 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 32.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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