| CAS Number | 1352495-11-4 |
| Catalog Number | AG01FS80(AGN-PC-3H6010) |
| Chemical Name | 5-Bromo-1-methyl-1H-indazole-3-carbaldehyde |
| IUPAC Name | 5-bromo-1-methylindazole-3-carbaldehyde |
| InChI | InChI=1S/C9H7BrN2O/c1-12-9-3-2-6(10)4-7(9)8(5-13)11-12/h2-5H,1H3 |
| InChI Key | XJZXIHIEUIQGRD-UHFFFAOYSA-N |
| MDL Number | MFCD20535072 |
| Molecular Formula | C9H7BrN2O |
| Molecular Weight | 239.0687 |
| SMILES | CN1C2=C(C=C(C=C2)Br)C(=N1)C=O |
| Synonyms | 5-Bromo-1-methyl-1H-indazole-3-carbaldehyde,
1352495-11-4,
ZINC72220002,
FCH1612302,
AX8335313,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.97418g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.07g/mol |
| Monoisotopic Mass | 237.97418g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 34.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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