5-Bromo-6-fluoro-1H-indazole - CAS 105391-70-6
Catalog: |
BB001636 |
Product Name: |
5-Bromo-6-fluoro-1H-indazole |
CAS: |
105391-70-6 |
Synonyms: |
5-bromo-6-fluoro-1H-indazole; 5-bromo-6-fluoro-1H-indazole |
IUPAC Name: | 5-bromo-6-fluoro-1H-indazole |
Description: | 5-Bromo-6-fluoro-1H-indazole (CAS# 105391-70-6) is used for optimization and biological evaluation of [(trifluoromethyl)phenyl]indazoles as TRPA1 antagonists. |
Molecular Weight: | 215.02 |
Molecular Formula: | C7H4BrFN2 |
Canonical SMILES: | C1=C2C=NNC2=CC(=C1Br)F |
InChI: | InChI=1S/C7H4BrFN2/c8-5-1-4-3-10-11-7(4)2-6(5)9/h1-3H,(H,10,11) |
InChI Key: | ZNNFNEIFQIAWNY-UHFFFAOYSA-N |
Boiling Point: | 332.199 °C at 760 mmHg |
Density: | 1.861 g/cm3 |
Appearance: | Solid |
LogP: | 2.46450 |
Publication Number | Title | Priority Date |
WO-2020124060-A1 | Organophosphorus-substituted compounds as c-met inhibitors and therapeutic uses thereof | 20181214 |
KR-20210111779-A | Organophosphorus-substituted compounds and therapeutic uses thereof as C-MET inhibitors | 20181214 |
WO-2020022323-A1 | Heterobicyclic compounds for inhibiting the activity of shp2 | 20180724 |
TW-202019921-A | Heterobicyclic compounds for inhibiting SHP2 activity | 20180724 |
AU-2019309987-A1 | Heterobicyclic compounds for inhibiting the activity of shp2 | 20180724 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 213.95419 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 213.95419 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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Indazoles
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