| CAS Number | 27301-77-5 |
| Catalog Number | AG003CYX(AGN-PC-01N49Y) |
| Chemical Name | 1-(4-Chlorophenyl)-3-methyl-1H-pyrazole |
| IUPAC Name | 1-(4-chlorophenyl)-3-methylpyrazole |
| InChI | InChI=1S/C10H9ClN2/c1-8-6-7-13(12-8)10-4-2-9(11)3-5-10/h2-7H,1H3 |
| InChI Key | PFUGSJQNCXAWQX-UHFFFAOYSA-N |
| MDL Number | MFCD11848681 |
| Molecular Formula | C10H9ClN2 |
| Molecular Weight | 192.6449 |
| SMILES | CC1=NN(C2=CC=C(Cl)C=C2)C=C1 |
| Synonyms | 1-(4-CHLOROPHENYL)-3-METHYL-1H-PYRAZOLE,
27301-77-5,
SCHEMBL2615994,
CTK8B1355,
DTXSID30591673,
PFUGSJQNCXAWQX-UHFFFAOYSA-N,
ANW-26168,
MFCD11848681,
ZINC40456636,
AKOS006343328,
SC-36551,
1-(4'-Chlorophenyl)-3-methyl-1H-pyrazole,
K-6957,
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| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.646g/mol |
| Monoisotopic Mass | 192.045g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number