| CAS Number | 1286734-78-8 |
| Catalog Number | AG000YAE(AGN-PC-0WR0DY) |
| Chemical Name | 1H-Indazole, 6-bromo-3-chloro-5-fluoro- |
| IUPAC Name | 6-bromo-3-chloro-5-fluoro-2H-indazole |
| InChI | InChI=1S/C7H3BrClFN2/c8-4-2-6-3(1-5(4)10)7(9)12-11-6/h1-2H,(H,11,12) |
| InChI Key | CLYCEHXHPJNOCE-UHFFFAOYSA-N |
| MDL Number | MFCD18384873 |
| Molecular Formula | C7H3BrClFN2 |
| Molecular Weight | 249.4675 |
| SMILES | FC1=CC2=C(NN=C2Cl)C=C1Br |
| Synonyms | 6-Bromo-3-chloro-5-fluoro-1H-indazole,
1286734-78-8,
ZX-AP001506,
MFCD18384873,
ZINC71790127,
AKOS026675585,
FCH1368580,
PC51021,
PS-7499,
KS-00003R35,
1H-Indazole, 6-bromo-3-chloro-5-fluoro-,
K-3997,
6-bromo-3-chloro-5-fluoro-2H-indazole,
6-bromo-3-chloro-5-fluoro-1H-indazole, 95% - 1G 1g,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.467g/mol |
| Monoisotopic Mass | 247.915g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number