| CAS Number | 1260659-19-5 |
| Catalog Number | AG00JG5F(AGN-PC-0WBD9G) |
| Chemical Name | 3-(chloromethyl)-1-cyclopentyl-1H-pyrazole |
| IUPAC Name | 3-(chloromethyl)-1-cyclopentylpyrazole |
| InChI | InChI=1S/C9H13ClN2/c10-7-8-5-6-12(11-8)9-3-1-2-4-9/h5-6,9H,1-4,7H2 |
| InChI Key | AVXQYBVQSTYEEM-UHFFFAOYSA-N |
| MDL Number | MFCD18262439 |
| Molecular Formula | C9H13ClN2 |
| Molecular Weight | 184.6659 |
| SMILES | ClCC1=NN(C2CCCC2)C=C1 |
| Synonyms | 3-(chloromethyl)-1-cyclopentyl-1H-pyrazole,
1260659-19-5,
SCHEMBL17493993,
SBB073706,
ZINC72209581,
AKOS005169428,
3-(chloromethyl)-1-cyclopentylpyrazole,
MCULE-3220666573,
NE28220,
|
| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.076726g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.66g/mol |
| Monoisotopic Mass | 184.076726g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number