| CAS Number | 1909347-69-8 |
| Catalog Number | AG01B2CE |
| Chemical Name | 2-(1H-Pyrazol-1-yl)cyclohexane-1-carboxylic acid hydrochloride |
| IUPAC Name | 2-pyrazol-1-ylcyclohexane-1-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C10H14N2O2.ClH/c13-10(14)8-4-1-2-5-9(8)12-7-3-6-11-12;/h3,6-9H,1-2,4-5H2,(H,13,14);1H |
| InChI Key | GVSCBBRGLXNCIZ-UHFFFAOYSA-N |
| MDL Number | MFCD29907388 |
| Molecular Formula | C10H15ClN2O2 |
| Molecular Weight | 230.6913 |
| SMILES | Cl.OC(C1C(N2N=CC=C2)CCCC1)=O |
| Synonyms | 2-(1H-pyrazol-1-yl)cyclohexane-1-carboxylic acid hydrochloride,
1909347-69-8,
Z2472860062,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.692g/mol |
| Monoisotopic Mass | 230.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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