5-(Trifluoromethyl)-1H-indazole - CAS 885271-64-7
Catalog: |
BB038919 |
Product Name: |
5-(Trifluoromethyl)-1H-indazole |
CAS: |
885271-64-7 |
Synonyms: |
5-(trifluoromethyl)-1H-indazole; 5-(trifluoromethyl)-1H-indazole |
IUPAC Name: | 5-(trifluoromethyl)-1H-indazole |
Description: | 5-(Trifluoromethyl)-1H-indazole (CAS# 885271-64-7) is a useful research chemical. |
Molecular Weight: | 186.13 |
Molecular Formula: | C8H5F3N2 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)C=NN2 |
InChI: | InChI=1S/C8H5F3N2/c9-8(10,11)6-1-2-7-5(3-6)4-12-13-7/h1-4H,(H,12,13) |
InChI Key: | WBHMPANPIGWXQV-UHFFFAOYSA-N |
Boiling Point: | 268.5 °C at 760 mmHg |
Density: | 1.447 g/cm3 |
MDL: | MFCD08234904 |
LogP: | 2.58170 |
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 |
US-2020399241-A1 | 3-arylindazoles as selective mek4 inhibitors | 20190624 |
KR-20200100632-A | KRAS G12C inhibitor | 20171115 |
CN-109843856-A | KRAS G12C inhibitor | 20160518 |
JP-2019516718-A | KRAS G12C inhibitor | 20160518 |
KR-20190039475-A | KRAS G12C inhibitor | 20160518 |
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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