| CAS Number | 1396762-44-9 |
| Catalog Number | AG00A051(AGN-PC-0WNWRT) |
| Chemical Name | 6-Bromo-5-(trifluoromethyl)-1H-indazole |
| IUPAC Name | 6-bromo-5-(trifluoromethyl)-1H-indazole |
| InChI | InChI=1S/C8H4BrF3N2/c9-6-2-7-4(3-13-14-7)1-5(6)8(10,11)12/h1-3H,(H,13,14) |
| InChI Key | KTGSPBURVFUONI-UHFFFAOYSA-N |
| MDL Number | MFCD22570316 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | FC(F)(C1=CC2=C(C=C1Br)NN=C2)F |
| Synonyms | 6-Bromo-5-(trifluoromethyl)-1H-indazole,
1396762-44-9,
MFCD22570316,
ZINC95628540,
AS-41020,
6-bromo-5-(trifluoromethyl)-1H-indazole, 95% - 1G 1g,
|
| 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 |
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Certificate of Analysis
Lot Number