| CAS Number | 181144-24-1 |
| Catalog Number | AG01ACUT(AGN-PC-0WOD3J) |
| Chemical Name | 2-(1-methyl-1H-indazol-3-yl)acetonitrile |
| IUPAC Name | 2-(1-methylindazol-3-yl)acetonitrile |
| InChI | InChI=1S/C10H9N3/c1-13-10-5-3-2-4-8(10)9(12-13)6-7-11/h2-5H,6H2,1H3 |
| InChI Key | AWBGINSRBGITQS-UHFFFAOYSA-N |
| MDL Number | MFCD21312432 |
| Molecular Formula | C10H9N3 |
| Molecular Weight | 171.1986 |
| SMILES | CN1C2=C(C=CC=C2)C(CC#N)=N1 |
| Synonyms | 2-(1-methyl-1H-indazol-3-yl)acetonitrile,
181144-24-1,
1H-Indazole-3-acetonitrile, 1-methyl-,
ZINC84242819,
AKOS015171391,
NE43471,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.079647g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.2g/mol |
| Monoisotopic Mass | 171.079647g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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