| CAS Number | 123345-76-6 |
| Catalog Number | AG019XRV(AGN-PC-001UZO) |
| Chemical Name | 3-(chloromethyl)-1-phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazole |
| IUPAC Name | 3-(chloromethyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazole |
| InChI | InChI=1S/C13H13ClN2/c14-9-12-11-7-4-8-13(11)16(15-12)10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChI Key | JZQCNZOQBXKTDJ-UHFFFAOYSA-N |
| MDL Number | MFCD14705595 |
| Molecular Formula | C13H13ClN2 |
| Molecular Weight | 232.7087 |
| SMILES | ClCC1C2=C(CCC2)N(C2=CC=CC=C2)N=1 |
| Synonyms | 3-(chloromethyl)-1-phenyl-1H,4H,5H,6H-cyclopenta[c]pyrazole,
123345-76-6,
AC1Q3U5E,
CTK6H7000,
ZINC39947445,
AKOS030664477,
MCULE-7944215099,
NE23182,
EN300-55893,
|
| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.711g/mol |
| Monoisotopic Mass | 232.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number