| CAS Number | 1057659-72-9 |
| Catalog Number | AG00HAPJ(AGN-PC-0WG41E) |
| Chemical Name | 4-Bromo-3-cyclopropyl-5-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole |
| InChI | InChI=1S/C7H6BrF3N2/c8-4-5(3-1-2-3)12-13-6(4)7(9,10)11/h3H,1-2H2,(H,12,13) |
| InChI Key | ASNRMLCPPUFBJH-UHFFFAOYSA-N |
| MDL Number | MFCD28991862 |
| Molecular Formula | C7H6BrF3N2 |
| Molecular Weight | 255.0351 |
| SMILES | FC(C1=C(Br)C(C2CC2)=NN1)(F)F |
| Synonyms | 4-Bromo-3-cyclopropyl-5-(trifluoromethyl)-1H-pyrazole,
1057659-72-9,
4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazole,
MFCD28991862,
ZINC261506757,
CS-0060772,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.038g/mol |
| Monoisotopic Mass | 253.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
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