| CAS Number | 1264481-55-1 |
| Catalog Number | AG01DTRY(AGN-PC-0AMA4X) |
| Chemical Name | 4-Chloro-1H-indazole-3-carbonitrile |
| IUPAC Name | 4-chloro-1H-indazole-3-carbonitrile |
| InChI | InChI=1S/C8H4ClN3/c9-5-2-1-3-6-8(5)7(4-10)12-11-6/h1-3H,(H,11,12) |
| InChI Key | KWTONBMRLJOZHC-UHFFFAOYSA-N |
| MDL Number | MFCD18632892 |
| Molecular Formula | C8H4ClN3 |
| Molecular Weight | 177.5905 |
| SMILES | N#Cc1n[nH]c2c1c(Cl)ccc2 |
| Synonyms | 1264481-55-1,
4-chloro-1H-indazole-3-carbonitrile,
1H-Indazole-3-carbonitrile, 4-chloro-,
ZINC89195823,
1h-indazole-3-carbonitrile,4-chloro-,
AKOS006372024,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.591g/mol |
| Monoisotopic Mass | 177.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 52.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number