| CAS Number | 1374258-43-1 |
| Catalog Number | AG009WJJ(AGN-PC-0WANB5) |
| Chemical Name | 5-bromo-7-(trifluoromethyl)-1H-indazole |
| IUPAC Name | 5-bromo-7-(trifluoromethyl)-1H-indazole |
| InChI | InChI=1S/C8H4BrF3N2/c9-5-1-4-3-13-14-7(4)6(2-5)8(10,11)12/h1-3H,(H,13,14) |
| InChI Key | YLMFTTBYMVQLMH-UHFFFAOYSA-N |
| MDL Number | MFCD21602947 |
| Molecular Formula | C8H4BrF3N2 |
| Molecular Weight | 265.0300 |
| SMILES | FC(C1=CC(Br)=CC2=C1NN=C2)(F)F |
| Synonyms | 5-Bromo-7-(trifluoromethyl)-1H-indazole,
1374258-43-1,
AK147417,
1H-Indazole, 5-bromo-7-(trifluoromethyl)-,
SCHEMBL2671135,
DTXSID10737375,
YLMFTTBYMVQLMH-UHFFFAOYSA-N,
ZX-RL002187,
MFCD21602947,
ZINC80441566,
AKOS022187471,
DS-8771,
FCH1563950,
SB15969,
PC402014,
AJ-123867,
AX8284854,
CS-0041313,
Z-3015,
|
| 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
| Symbol: |  |
|
Hazard Class
|
|
|
Hazard statements
|
H302-H315-H319-H335
|
|
Packing Group
|
|
|
Precautionary statements
|
P261-P305+P351+P338
|
|
UN Code
|
|
Certificate of Analysis
Lot Number