| CAS Number | 1352537-99-5 |
| Catalog Number | AG01EH9J(AGN-PC-3H45EN) |
| Chemical Name | 5-Bromo-1-methyl-1H-indazole-3-carbonitrile |
| IUPAC Name | 5-bromo-1-methylindazole-3-carbonitrile |
| InChI | InChI=1S/C9H6BrN3/c1-13-9-3-2-6(10)4-7(9)8(5-11)12-13/h2-4H,1H3 |
| InChI Key | ZGYAXZQOMLBWNM-UHFFFAOYSA-N |
| MDL Number | MFCD20535069 |
| Molecular Formula | C9H6BrN3 |
| Molecular Weight | 236.0680 |
| SMILES | Cn1nc(c2c1ccc(c2)Br)C#N |
| Synonyms | 5-Bromo-1-methyl-1h-indazole-3-carbonitrile,
1352537-99-5,
SCHEMBL17673189,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.072g/mol |
| Monoisotopic Mass | 234.975g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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