| CAS Number | 1707359-95-2 |
| Catalog Number | AG01AOTT(AGN-PC-0WBEY4) |
| Chemical Name | 3-(chloromethyl)-1-propyl-1H-pyrazole |
| IUPAC Name | 3-(chloromethyl)-1-propylpyrazole |
| InChI | InChI=1S/C7H11ClN2/c1-2-4-10-5-3-7(6-8)9-10/h3,5H,2,4,6H2,1H3 |
| InChI Key | NUWVUPMTMSOMQG-UHFFFAOYSA-N |
| MDL Number | MFCD26381618 |
| Molecular Formula | C7H11ClN2 |
| Molecular Weight | 158.6286 |
| SMILES | CCCN1N=C(CCl)C=C1 |
| Synonyms | 3-(CHLOROMETHYL)-1-PROPYL-1H-PYRAZOLE,
1707359-95-2,
MFCD26381618,
ZINC96509691,
AKOS030246594,
FCH2426733,
EN300-233083,
|
| Complexity | 97.6 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.629g/mol |
| Monoisotopic Mass | 158.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number