| CAS Number | 1785074-93-2 |
| Catalog Number | AG00263X(AGN-PC-0WNH3J) |
| Chemical Name | 1H-Pyrazole, 4-bromo-3-fluoro-1-methyl- |
| IUPAC Name | 4-bromo-3-fluoro-1-methylpyrazole |
| InChI | InChI=1S/C4H4BrFN2/c1-8-2-3(5)4(6)7-8/h2H,1H3 |
| InChI Key | ZZVJLGMTZXVPQV-UHFFFAOYSA-N |
| MDL Number | MFCD28353674 |
| Molecular Formula | C4H4BrFN2 |
| Molecular Weight | 178.9904 |
| SMILES | CN1C=C(Br)C(F)=N1 |
| Synonyms | 4-Bromo-3-fluoro-1-methyl-1H-pyrazole,
1785074-93-2,
SCHEMBL20689264,
4-bromo-3-fluoro-1-methylpyrazole,
MFCD28353674,
ZINC212787745,
KS-0000086P,
AS-53942,
1H-Pyrazole, 4-bromo-3-fluoro-1-methyl-,
CS-0058346,
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| Complexity | 90.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.992g/mol |
| Monoisotopic Mass | 177.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number