5-(Trifluoromethyl)-1H-indazole-3-carboxylic Acid - CAS 959236-67-0
Catalog: |
BB041884 |
Product Name: |
5-(Trifluoromethyl)-1H-indazole-3-carboxylic Acid |
CAS: |
959236-67-0 |
Synonyms: |
5-(trifluoromethyl)-1H-indazole-3-carboxylic acid; 5-(trifluoromethyl)-1H-indazole-3-carboxylic acid |
IUPAC Name: | 5-(trifluoromethyl)-1H-indazole-3-carboxylic acid |
Description: | 5-(Trifluoromethyl)-1H-indazole-3-carboxylic Acid (CAS# 959236-67-0 ) is a useful research chemical. |
Molecular Weight: | 230.14 |
Molecular Formula: | C9H5F3N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1C(F)(F)F)C(=NN2)C(=O)O |
InChI: | InChI=1S/C9H5F3N2O2/c10-9(11,12)4-1-2-6-5(3-4)7(8(15)16)14-13-6/h1-3H,(H,13,14)(H,15,16) |
InChI Key: | KEIWGKWVIMXMQT-UHFFFAOYSA-N |
Boiling Point: | 419.5±40.0 °C (760 mmHg) |
Density: | 1.630±0.06 g/cm3 (20 °C, 760 mmH g) |
LogP: | 2.27990 |
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 |
AU-2016287581-A1 | Bicyclic lactams and methods of use thereof | 20150702 |
AU-2016287581-A9 | Bicyclic lactams and methods of use thereof | 20150702 |
AU-2016287581-B2 | Bicyclic lactams and methods of use thereof | 20150702 |
AU-2019203444-A1 | Bicyclic lactams and methods of use thereof | 20150702 |
CA-2988601-A1 | Bicyclic lactams and methods of use thereof | 20150702 |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.03031189 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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