6-(Trifluoromethyl)indazole - CAS 954239-22-6
Catalog: |
BB041716 |
Product Name: |
6-(Trifluoromethyl)indazole |
CAS: |
954239-22-6 |
Synonyms: |
6-(trifluoromethyl)-1H-indazole; 6-(trifluoromethyl)-1H-indazole |
IUPAC Name: | 6-(trifluoromethyl)-1H-indazole |
Description: | 6-(Trifluoromethyl)indazole (CAS# 954239-22-6) is a useful research chemical. |
Molecular Weight: | 186.13 |
Molecular Formula: | C8H5F3N2 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)NN=C2 |
InChI: | InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5-4-12-13-7(5)3-6/h1-4H,(H,12,13) |
InChI Key: | PFAFARJWFBPNIN-UHFFFAOYSA-N |
MDL: | MFCD08690097 |
LogP: | 2.58170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020399241-A1 | 3-arylindazoles as selective mek4 inhibitors | 20190624 |
WO-2020165062-A1 | Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer | 20190211 |
CN-113474334-A | Indazolyl-isoxazole derivatives for the treatment of diseases such as cancer | 20190211 |
EP-3555060-A1 | Pesticidally active heterocyclic derivatives with sulphur containing substituents | 20161219 |
US-10667518-B2 | Pesticidally active heterocyclic derivatives with sulphur containing substituents | 20161219 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04048265 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04048265 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 28.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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