| CAS Number | 1243288-50-7 |
| Catalog Number | AG01BE3L(AGN-PC-0WNOFA) |
| Chemical Name | 5-bromo-3-chloro-2-methyl-2H-indazole |
| IUPAC Name | 5-bromo-3-chloro-2-methylindazole |
| InChI | InChI=1S/C8H6BrClN2/c1-12-8(10)6-4-5(9)2-3-7(6)11-12/h2-4H,1H3 |
| InChI Key | ZODGRUUGABBMNL-UHFFFAOYSA-N |
| MDL Number | MFCD16996094 |
| Molecular Formula | C8H6BrClN2 |
| Molecular Weight | 245.5036 |
| SMILES | CN1C(=C2C=C(C=CC2=N1)Br)Cl |
| Synonyms | 5-bromo-3-chloro-2-methyl-2H-indazole,
1243288-50-7,
5(c)\bromo(c)\3(c)\chloro(c)\2(c)\methyl(c)\2H(c)\indazole,
ZINC95709707,
MB19852,
NE16158,
5-BROMO-3-CHLORO-2-METHYL-INDAZOLE,
CS-0055964,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.504g/mol |
| Monoisotopic Mass | 243.94g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number