| CAS Number | 1385821-29-3 |
| Catalog Number | AG0018SI(AGN-PC-0WD748) |
| Chemical Name | 1H-Indazole, 5-bromo-4-(trifluoromethyl)- |
| IUPAC Name | 5-bromo-4-(trifluoromethyl)-1H-indazole |
| InChI | InChI=1S/C8H4BrF3N2/c9-5-1-2-6-4(3-13-14-6)7(5)8(10,11)12/h1-3H,(H,13,14) |
| InChI Key | FECZIZNDPJXBMQ-UHFFFAOYSA-N |
| MDL Number | MFCD21602943 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | FC(C1=C(Br)C=CC2=C1C=NN2)(F)F |
| Synonyms | 5-Bromo-4-(trifluoromethyl)-1H-indazole,
1385821-29-3,
1H-Indazole, 5-bromo-4-(trifluoromethyl)-,
MFCD21602943,
ZINC80441572,
AKOS027251727,
1H-Indazole,5-bromo-4-trifluoromethyl,
FCH1563947,
SB15965,
PC402050,
CS-0056695,
L-1470,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.033g/mol |
| Monoisotopic Mass | 263.951g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number