| CAS Number | 1565827-84-0 |
| Catalog Number | AG00IXLA(AGN-PC-0WB2R1) |
| Chemical Name | Ethyl 5-(3,5-dichlorophenyl)-1-methyl-1H-pyrazole-3-carboxylate |
| IUPAC Name | ethyl 5-(3,5-dichlorophenyl)-1-methylpyrazole-3-carboxylate |
| InChI | InChI=1S/C13H12Cl2N2O2/c1-3-19-13(18)11-7-12(17(2)16-11)8-4-9(14)6-10(15)5-8/h4-7H,3H2,1-2H3 |
| InChI Key | BUKFPOSTEKJGKG-UHFFFAOYSA-N |
| MDL Number | MFCD27957340 |
| Molecular Formula | C13H12Cl2N2O2 |
| Molecular Weight | 299.1526 |
| SMILES | ClC1(=CC(Cl)=CC(=C1)C=2(N(N=C(C=2)C(=O)OCC)C)) |
| Synonyms | ethyl 5-(3,5-dichlorophenyl)-1-methyl-1H-pyrazole-3-carboxylate,
1565827-84-0,
KS-00001QBZ,
ZINC95929138,
AKOS022170612,
SS-4748,
OR310536,
|
| Complexity | 320 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.151g/mol |
| Monoisotopic Mass | 298.028g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number