| CAS Number | 885522-01-0 |
| Catalog Number | AG004F1C(AGN-PC-0WAKJL) |
| Chemical Name | 3-Bromo-6-fluoro-1H-indazole-4-carboxylic acid |
| IUPAC Name | 3-bromo-6-fluoro-2H-indazole-4-carboxylic acid |
| InChI | InChI=1S/C8H4BrFN2O2/c9-7-6-4(8(13)14)1-3(10)2-5(6)11-12-7/h1-2H,(H,11,12)(H,13,14) |
| InChI Key | HVKZOBUDXONMCS-UHFFFAOYSA-N |
| MDL Number | MFCD07781754 |
| Molecular Formula | C8H4BrFN2O2 |
| Molecular Weight | 259.0320 |
| SMILES | O=C(C1=CC(F)=CC2=C1C(Br)=NN2)O |
| Synonyms | 3-Bromo-6-fluoro-1H-indazole-4-carboxylic acid,
885522-01-0,
AK102200,
3-Bromo-6-fluoro-4-indazolecarboxylic acid,
CTK8B9316,
DTXSID00646381,
4377AC,
ANW-62345,
MFCD07781754,
ZINC14983848,
AKOS016004082,
DS-3786,
FCH1385766,
AJ-66095,
AX8233739,
TC-151090,
W-3354,
3-bromo-6-fluoro-2H-indazole-4-carboxylic acid,
C8H4BrFN2O2,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.944g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.034g/mol |
| Monoisotopic Mass | 257.944g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number