| CAS Number | 959236-67-0 |
| Catalog Number | AG01EEBL |
| Chemical Name | 5-(trifluoromethyl)-1H-indazole-3-carboxylic acid |
| IUPAC Name | 5-(trifluoromethyl)-1H-indazole-3-carboxylic acid |
| 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 |
| MDL Number | MFCD07378929 |
| Molecular Formula | C9H5F3N2O2 |
| Molecular Weight | 230.1434 |
| SMILES | FC(C=1C=C2C(=NNC2=CC1)C(=O)O)(F)F |
| Synonyms | 959236-67-0,
5-(trifluoromethyl)-1H-indazole-3-carboxylic acid,
1H-Indazole-3-carboxylic acid, 5-(trifluoromethyl)-,
ZINC26894324,
AKOS023112317,
1h-indazole-3-carboxylic acid,5-(trifluoromethyl)-,
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| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.146g/mol |
| Monoisotopic Mass | 230.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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