| CAS Number | 1227270-14-5 |
| Catalog Number | AG000J5V(AGN-PC-0WCY9D) |
| Chemical Name | 5-bromo-1H-indazole-6-carboxylic acid |
| IUPAC Name | 5-bromo-1H-indazole-6-carboxylic acid |
| InChI | InChI=1S/C8H5BrN2O2/c9-6-1-4-3-10-11-7(4)2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13) |
| InChI Key | FWFQICPAPNKJTM-UHFFFAOYSA-N |
| MDL Number | MFCD16875727 |
| Molecular Formula | C8H5BrN2O2 |
| Molecular Weight | 241.0415 |
| SMILES | O=C(C1=CC2=C(C=C1Br)C=NN2)O |
| Synonyms | 5-bromo-1H-indazole-6-carboxylic acid,
1227270-14-5,
5-BROMOINDAZOLE-6-CARBOXYLIC ACID,
5-Bromo-indazole-6-carboxylic acid,
ZINC66055104,
FCH1348779,
1h-indazole-6-carboxylic acid,5-bromo-,
1H-Indazole-6-carboxylic acid, 5-bromo-,
AB0004893,
AX8266705,
W-1855,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.95344g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.04g/mol |
| Monoisotopic Mass | 239.95344g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number