| CAS Number | 1360962-29-3 |
| Catalog Number | AG01B2LQ |
| Chemical Name | 5-Bromo-7-methyl-1H-indazole-3-carboxylic acid |
| IUPAC Name | 5-bromo-7-methyl-2H-indazole-3-carboxylic acid |
| InChI | InChI=1S/C9H7BrN2O2/c1-4-2-5(10)3-6-7(4)11-12-8(6)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14) |
| InChI Key | ZDVRSACZEUSLSI-UHFFFAOYSA-N |
| MDL Number | MFCD07378927 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | BrC=1C=C2C(=NNC2=C(C1)C)C(=O)O |
| Synonyms | 5-bromo-7-methyl-1H-indazole-3-carboxylic acid,
1360962-29-3,
ZINC75884095,
|
| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.969g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.071g/mol |
| Monoisotopic Mass | 253.969g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number