| CAS Number | 1255717-98-6 |
| Catalog Number | AG00HIBV(AGN-PC-0WB74C) |
| Chemical Name | 1-(3-Chloropropyl)-1H-pyrazole hydrochloride |
| IUPAC Name | 1-(3-chloropropyl)pyrazole;hydrochloride |
| InChI | InChI=1S/C6H9ClN2.ClH/c7-3-1-5-9-6-2-4-8-9;/h2,4,6H,1,3,5H2;1H |
| InChI Key | INPITCVCAOUVFU-UHFFFAOYSA-N |
| MDL Number | MFCD18071222 |
| Molecular Formula | C6H10Cl2N2 |
| Molecular Weight | 181.0630 |
| SMILES | C(CCl)CN1C=CC=N1.Cl |
| Synonyms | 1-(3-Chloropropyl)-1H-pyrazole hydrochloride,
1255717-98-6,
SCHEMBL3789712,
ZX-CM006002,
MFCD18071222,
AKOS027255511,
1-(3-CHLOROPROPYL)-1H-PYRAZOLE HCL,
CS-0036165,
1-(3-Chloropropyl)-1H-pyrazole hydrochloride, AldrichCPR,
1-(3-chloropropyl)pyrazole;hydrochloride,
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| Complexity | 77.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.06g/mol |
| Monoisotopic Mass | 180.022g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number