| CAS Number | 497832-98-1 |
| Catalog Number | AG00DC4Z(AGN-PC-00H1YH) |
| Chemical Name | 4-bromo-1-methyl-5-(trifluoromethyl)-1H-pyrazole |
| IUPAC Name | 4-bromo-1-methyl-5-(trifluoromethyl)pyrazole |
| InChI | InChI=1S/C5H4BrF3N2/c1-11-4(5(7,8)9)3(6)2-10-11/h2H,1H3 |
| InChI Key | WPGFBPBCXHFXQD-UHFFFAOYSA-N |
| MDL Number | MFCD10690231 |
| Molecular Formula | C5H4BrF3N2 |
| Molecular Weight | 228.9979 |
| SMILES | FC(C1=C(Br)C=NN1C)(F)F |
| Synonyms | 4-BROMO-1-METHYL-5-(TRIFLUOROMETHYL)-1H-PYRAZOLE,
497832-98-1,
4-bromo-1-methyl-5-(trifluoromethyl)pyrazole,
1H-Pyrazole, 4-bromo-1-methyl-5-(trifluoromethyl)-,
SCHEMBL15608616,
CTK7B6474,
DTXSID30474134,
WPGFBPBCXHFXQD-UHFFFAOYSA-N,
MFCD10690231,
ZINC26513441,
AKOS009279510,
MCULE-9288421772,
AC-28855,
SC-99499,
AB1010403,
RT-009470,
CS-0055083,
C-2160,
CID11831205,
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| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229g/mol |
| Monoisotopic Mass | 227.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number