| CAS Number | 1353855-69-2 |
| Catalog Number | AG009WY9(AGN-PC-0WNRHF) |
| Chemical Name | 4-Bromo-1-[3-(trifluoromethyl)phenyl]pyrazole |
| IUPAC Name | 4-bromo-1-[3-(trifluoromethyl)phenyl]pyrazole |
| InChI | InChI=1S/C10H6BrF3N2/c11-8-5-15-16(6-8)9-3-1-2-7(4-9)10(12,13)14/h1-6H |
| InChI Key | LAZLUCUQGRIQDE-UHFFFAOYSA-N |
| MDL Number | MFCD21100062 |
| Molecular Formula | C10H6BrF3N2 |
| Molecular Weight | 291.0672 |
| SMILES | BrC=1C=NN(C1)C1=CC(=CC=C1)C(F)(F)F |
| Synonyms | 4-bromo-1-[3-(trifluoromethyl)phenyl]pyrazole,
1353855-69-2,
4-BROMO-1-(3-TRIFLUOROMETHYLPHENYL)PYRAZOLE,
SCHEMBL19521416,
KM3886,
ZINC72193388,
AKOS015946712,
Z9917,
C10H6BrF3N2,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.071g/mol |
| Monoisotopic Mass | 289.967g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
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Certificate of Analysis
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