| CAS Number | 875740-60-6 |
| Catalog Number | AG00IEOV(AGN-PC-05CNKK) |
| Chemical Name | 2-(Pyrazol-1-ylmethyl)benzonitrile |
| IUPAC Name | 2-(pyrazol-1-ylmethyl)benzonitrile |
| InChI | InChI=1S/C11H9N3/c12-8-10-4-1-2-5-11(10)9-14-7-3-6-13-14/h1-7H,9H2 |
| InChI Key | ZILRHRSJIQZNQT-UHFFFAOYSA-N |
| MDL Number | MFCD09863321 |
| Molecular Formula | C11H9N3 |
| Molecular Weight | 183.2093 |
| SMILES | N#CC1=C(CN2N=CC=C2)C=CC=C1 |
| Synonyms | 2-(1H-pyrazol-1-ylmethyl)benzonitrile,
875740-60-6,
2-(PYRAZOL-1-YLMETHYL)BENZONITRILE,
2-((1H-pyrazol-1-yl)methyl)benzonitrile,
2-[(1H-pyrazol-1-yl)methyl]benzonitrile,
N-(2-cyanobenzyl)pyrazole,
AC1Q4R0H,
CTK7C8709,
ZINC19804790,
AKOS000198395,
MCULE-8254421190,
NE39711,
2-(1H-Pyrazole-1-ylmethyl)benzonitrile,
Benzonitrile, 2-(1H-pyrazol-1-ylmethyl)-,
EN300-29896,
F9995-1598,
Z235362873,
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| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.214g/mol |
| Monoisotopic Mass | 183.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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