| CAS Number | 1360942-30-8 |
| Catalog Number | AG00HUGJ(AGN-PC-0WCXBN) |
| Chemical Name | 5-bromo-6-methyl-1H-indazole-3-carboxylic acid |
| IUPAC Name | 5-bromo-6-methyl-1H-indazole-3-carboxylic acid |
| InChI | InChI=1S/C9H7BrN2O2/c1-4-2-7-5(3-6(4)10)8(9(13)14)12-11-7/h2-3H,1H3,(H,11,12)(H,13,14) |
| InChI Key | MMJVFRMSAWBRRG-UHFFFAOYSA-N |
| MDL Number | MFCD07378900 |
| Molecular Formula | C9H7BrN2O2 |
| Molecular Weight | 255.0681 |
| SMILES | O=C(C1=NNC2=C1C=C(Br)C(C)=C2)O |
| Synonyms | 5-bromo-6-methyl-1H-indazole-3-carboxylic acid,
1360942-30-8,
MFCD07378900,
AKOS025289793,
ZINC230504303,
FCH2514723,
SB16337,
AK171360,
AS-50518,
CS-0050572,
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| 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 |
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Certificate of Analysis
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