| CAS Number | 25699-96-1 |
| Catalog Number | AG00BHON(AGN-PC-00NYEU) |
| Chemical Name | 1-[2-(1H-Pyrazol-1-yl)phenyl]ethan-1-one |
| IUPAC Name | 1-(2-pyrazol-1-ylphenyl)ethanone |
| InChI | InChI=1S/C11H10N2O/c1-9(14)10-5-2-3-6-11(10)13-8-4-7-12-13/h2-8H,1H3 |
| InChI Key | KSXDQTOYVBJSRV-UHFFFAOYSA-N |
| MDL Number | MFCD11978186 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | CC(C1=C(N2N=CC=C2)C=CC=C1)=O |
| Synonyms | 1-[2-(1H-pyrazol-1-yl)phenyl]ethan-1-one,
25699-96-1,
1-(2-(1H-pyrazol-1-yl)phenyl)ethan-1-one,
1-(2-(1H-pyrazol-1-yl)phenyl)ethanone,
AC1Q1JF1,
SCHEMBL17742692,
CTK5J9796,
ZINC19871193,
AKOS000221278,
MCULE-5955629789,
NE54686,
FT-0689797,
EN300-27422,
Z1245735314,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 186.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 186.214g/mol |
| Monoisotopic Mass | 186.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 34.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number