| CAS Number | 1093847-80-3 |
| Catalog Number | AG00HBG6(AGN-PC-0WCKTG) |
| Chemical Name | 6-ethynyl-1H-indazole |
| IUPAC Name | 6-ethynyl-1H-indazole |
| InChI | InChI=1S/C9H6N2/c1-2-7-3-4-8-6-10-11-9(8)5-7/h1,3-6H,(H,10,11) |
| InChI Key | WTJDLSYQMAUZMZ-UHFFFAOYSA-N |
| MDL Number | MFCD20527779 |
| Molecular Formula | C9H6N2 |
| Molecular Weight | 142.1573 |
| SMILES | C#CC1=CC2=C(C=C1)C=NN2 |
| Synonyms | 6-ETHYNYL-1H-INDAZOLE,
1093847-80-3,
1H-Indazole, 6-ethynyl-,
SCHEMBL4054705,
MFCD20527779,
ZINC142179644,
PB21039,
KS-0000072K,
AS-51495,
CS-0050210,
Q-2263,
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| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 142.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 142.161g/mol |
| Monoisotopic Mass | 142.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number