| CAS Number | 1528133-76-7 |
| Catalog Number | AG01FR09(AGN-PC-3H5PC3) |
| Chemical Name | 5-Bromo-2-methyl-2H-indazole-3-carbonitrile |
| IUPAC Name | 5-bromo-2-methylindazole-3-carbonitrile |
| InChI | InChI=1S/C9H6BrN3/c1-13-9(5-11)7-4-6(10)2-3-8(7)12-13/h2-4H,1H3 |
| InChI Key | XIAJAEATGYIFMM-UHFFFAOYSA-N |
| MDL Number | MFCD26680191 |
| Molecular Formula | C9H6BrN3 |
| Molecular Weight | 236.0680 |
| SMILES | N#CC2=C1C=C(Br)C=CC1=NN2C |
| Synonyms | 5-BROMO-2-METHYL-2H-INDAZOLE-3-CARBONITRILE,
1528133-76-7,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.97451g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.07g/mol |
| Monoisotopic Mass | 234.97451g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 41.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
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