| CAS Number | 948293-88-7 |
| Catalog Number | AG01DJ4G(AGN-PC-0NMOWL) |
| Chemical Name | 1-(2-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid |
| IUPAC Name | 1-(2-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
| InChI | InChI=1S/C11H6ClF3N2O2/c12-7-3-1-2-4-8(7)17-9(11(13,14)15)6(5-16-17)10(18)19/h1-5H,(H,18,19) |
| InChI Key | XOYBIULMFZJISK-UHFFFAOYSA-N |
| MDL Number | MFCD08446379 |
| Molecular Formula | C11H6ClF3N2O2 |
| Molecular Weight | 290.6257 |
| SMILES | O=C(C1=C(C(F)(F)F)N(C2=CC=CC=C2Cl)N=C1)O |
| Synonyms | 1-(2-chlorophenyl)-5-(trifluoromethyl)-1h-pyrazole-4-carboxylic acid,
948293-88-7,
MFCD08446379,
1-(2-Chlorophenyl)-5-trifluoromethyl-1H-pyrazole-4-carboxylic acid,
SCHEMBL2299066,
ZINC15442902,
AKOS009476564,
DB-017103,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.626g/mol |
| Monoisotopic Mass | 290.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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