| CAS Number | 92525-13-8 |
| Catalog Number | AG01B89F(AGN-PC-00M3QD) |
| Chemical Name | 4-benzoyl-1-methyl-1H-pyrazole |
| IUPAC Name | (1-methylpyrazol-4-yl)-phenylmethanone |
| InChI | InChI=1S/C11H10N2O/c1-13-8-10(7-12-13)11(14)9-5-3-2-4-6-9/h2-8H,1H3 |
| InChI Key | YGZWBAHIQAMPQF-UHFFFAOYSA-N |
| MDL Number | MFCD08700706 |
| Molecular Formula | C11H10N2O |
| Molecular Weight | 186.2099 |
| SMILES | CN1N=CC(C(C2=CC=CC=C2)=O)=C1 |
| Synonyms | 4-BENZOYL-1-METHYL-1H-PYRAZOLE,
92525-13-8,
(1-methyl-1H-pyrazol-4-yl)(phenyl)methanone,
(1-METHYL-PYRAZOL-4-YL)(PHENYL)METHANONE,
SCHEMBL5702311,
ZINC26545735,
AKOS003673210,
MB06545,
(1-Methyl-1H-pyrazole-4-yl)phenyl ketone,
Z1992316380,
|
| Complexity | 211 |
| 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 |
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Certificate of Analysis
Lot Number