| CAS Number | 1481659-08-8 |
| Catalog Number | AG01ACMO(AGN-PC-0WO6LT) |
| Chemical Name | 3-(chloromethyl)-1-(4-chlorophenyl)-1H-pyrazole |
| IUPAC Name | 3-(chloromethyl)-1-(4-chlorophenyl)pyrazole |
| InChI | InChI=1S/C10H8Cl2N2/c11-7-9-5-6-14(13-9)10-3-1-8(12)2-4-10/h1-6H,7H2 |
| InChI Key | XSJHLPIPWYOPSS-UHFFFAOYSA-N |
| MDL Number | MFCD21304457 |
| Molecular Formula | C10H8Cl2N2 |
| Molecular Weight | 227.0899 |
| SMILES | ClC1=CC=C(N2N=C(CCl)C=C2)C=C1 |
| Synonyms | 3-(chloromethyl)-1-(4-chlorophenyl)-1H-pyrazole,
1481659-08-8,
ZINC84179481,
AKOS015156209,
NE18261,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.006g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.088g/mol |
| Monoisotopic Mass | 226.006g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number