| CAS Number | 1338247-36-1 |
| Catalog Number | AG009CQE |
| Chemical Name | 3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid |
| IUPAC Name | 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid |
| InChI | InChI=1S/C9H9F3N2O2/c10-9(11,12)7-5-3-4(8(15)16)1-2-6(5)13-14-7/h4H,1-3H2,(H,13,14)(H,15,16) |
| InChI Key | FQWHXFWCSTWEHH-UHFFFAOYSA-N |
| MDL Number | MFCD20486911 |
| Molecular Formula | C9H9F3N2O2 |
| Molecular Weight | 234.1752 |
| SMILES | FC(C1=NNC=2CCC(CC12)C(=O)O)(F)F |
| Synonyms | 3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid,
1338247-36-1,
MCULE-8103630932,
RP07171,
CS-0080493,
Y3068,
3-Trifluoromethyl-4,5,6,7-tetrahydro-1H-indazole-5-carboxylic acid,
C9H9F3N2O2,
FQWHXFWCSTWEHH-UHFFFAOYSA-N,
|
| Complexity | 295 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.178g/mol |
| Monoisotopic Mass | 234.062g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number