| CAS Number | 1214900-63-6 |
| Catalog Number | AG001529(AGN-PC-0WG4W9) |
| Chemical Name | 6-Bromo-4-fluoro-3-methyl-1H-indazole |
| IUPAC Name | 6-bromo-4-fluoro-3-methyl-2H-indazole |
| InChI | InChI=1S/C8H6BrFN2/c1-4-8-6(10)2-5(9)3-7(8)12-11-4/h2-3H,1H3,(H,11,12) |
| InChI Key | GRCZRZKMGJKLAE-UHFFFAOYSA-N |
| MDL Number | MFCD19689535 |
| Molecular Formula | C8H6BrFN2 |
| Molecular Weight | 229.0490 |
| SMILES | CC1=NNC2=C1C(F)=CC(Br)=C2 |
| Synonyms | 6-Bromo-4-fluoro-3-methyl-1H-indazole,
1214900-63-6,
SCHEMBL2144129,
SCHEMBL18622411,
GRCZRZKMGJKLAE-UHFFFAOYSA-N,
MFCD19689535,
ZINC89197417,
6-bromo-4-fluoro-3-methyl-2H-indazole,
1h-indazole,6-bromo-4-fluoro-3-methyl-,
1H-Indazole, 6-bromo-4-fluoro-3-methyl-,
AJ-128371,
CS-0038661,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.052g/mol |
| Monoisotopic Mass | 227.97g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number