| CAS Number | 1432680-29-9 |
| Catalog Number | AG01A50O(AGN-PC-0WO8KS) |
| Chemical Name | 1-[3-(chloromethyl)phenyl]-1H-pyrazole hydrochloride |
| IUPAC Name | 1-[3-(chloromethyl)phenyl]pyrazole;hydrochloride |
| InChI | InChI=1S/C10H9ClN2.ClH/c11-8-9-3-1-4-10(7-9)13-6-2-5-12-13;/h1-7H,8H2;1H |
| InChI Key | MBGVHYKWBVTHFQ-UHFFFAOYSA-N |
| MDL Number | MFCD26959660 |
| Molecular Formula | C10H10Cl2N2 |
| Molecular Weight | 229.1058 |
| SMILES | Cl.ClCC1=CC(N2N=CC=C2)=CC=C1 |
| Synonyms | 1-[3-(chloromethyl)phenyl]-1H-pyrazole hydrochloride,
1432680-29-9,
AKOS026728856,
NE38249,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.104g/mol |
| Monoisotopic Mass | 228.022g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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