| CAS Number | 1235440-19-3 |
| Catalog Number | AG019Y53(AGN-PC-0WODHM) |
| Chemical Name | 3-(chloromethyl)-1-(3-fluorophenyl)-1H-pyrazole |
| IUPAC Name | 3-(chloromethyl)-1-(3-fluorophenyl)pyrazole |
| InChI | InChI=1S/C10H8ClFN2/c11-7-9-4-5-14(13-9)10-3-1-2-8(12)6-10/h1-6H,7H2 |
| InChI Key | ZUZKLQHXSMUHGP-UHFFFAOYSA-N |
| MDL Number | MFCD14705657 |
| Molecular Formula | C10H8ClFN2 |
| Molecular Weight | 210.6353 |
| SMILES | FC1=CC(N2N=C(CCl)C=C2)=CC=C1 |
| Synonyms | 3-(chloromethyl)-1-(3-fluorophenyl)-1H-pyrazole,
1235440-19-3,
AC1Q4LK2,
CTK6H6662,
ZINC39947531,
AKOS011096059,
MCULE-1468552174,
NE54564,
EN300-57086,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.636g/mol |
| Monoisotopic Mass | 210.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number