| CAS Number | 957125-40-5 |
| Catalog Number | AG01A5QY(AGN-PC-0WOA7L) |
| Chemical Name | 1-(3,4-dichlorophenyl)-1H-pyrazole |
| IUPAC Name | 1-(3,4-dichlorophenyl)pyrazole |
| InChI | InChI=1S/C9H6Cl2N2/c10-8-3-2-7(6-9(8)11)13-5-1-4-12-13/h1-6H |
| InChI Key | RAWYYAUKEAIOFW-UHFFFAOYSA-N |
| MDL Number | MFCD12192634 |
| Molecular Formula | C9H6Cl2N2 |
| Molecular Weight | 213.0633 |
| SMILES | ClC1=C(Cl)C=C(N2N=CC=C2)C=C1 |
| Synonyms | 1-(3,4-dichlorophenyl)-1H-pyrazole,
957125-40-5,
SCHEMBL11337325,
ZINC35728272,
AKOS009581349,
NE20908,
|
| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.991g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.061g/mol |
| Monoisotopic Mass | 211.991g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number