6-(Trifluoromethoxy)-1H-indazole-3-carboxylic Acid - CAS 869782-97-8
Catalog: |
BB038154 |
Product Name: |
6-(Trifluoromethoxy)-1H-indazole-3-carboxylic Acid |
CAS: |
869782-97-8 |
Synonyms: |
6-(trifluoromethoxy)-1H-indazole-3-carboxylic acid; 6-(trifluoromethoxy)-1H-indazole-3-carboxylic acid |
IUPAC Name: | 6-(trifluoromethoxy)-1H-indazole-3-carboxylic acid |
Description: | 6-(Trifluoromethoxy)-1H-indazole-3-carboxylic Acid (CAS# 869782-97-8) is a useful research chemical compound. |
Molecular Weight: | 246.14 |
Molecular Formula: | C9H5F3N2O3 |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)(F)F)NN=C2C(=O)O |
InChI: | InChI=1S/C9H5F3N2O3/c10-9(11,12)17-4-1-2-5-6(3-4)13-14-7(5)8(15)16/h1-3H,(H,13,14)(H,15,16) |
InChI Key: | DBSBRTKNVSHDMD-UHFFFAOYSA-N |
Boiling Point: | 401.9 °C at 760 mmHg |
Density: | 1.662 g/cm3 |
LogP: | 2.15970 |
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-108699038-A | Loop coil heptane salicylamide and related compound as Rock inhibitor | 20160113 |
EP-3402790-A1 | Spiroheptane salicylamides and related compounds as inhibitors of rock | 20160113 |
JP-2019509978-A | Spiroheptane salicylamide as ROCK inhibitor and related compounds | 20160113 |
US-10611776-B2 | Spiroheptane salicylamides and related compounds as inhibitors of rock | 20160113 |
US-2019016735-A1 | Spiroheptane salicylamides and related compounds as inhibitors of rock | 20160113 |
Complexity: | 310 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 246.02522651 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 246.02522651 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 75.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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