| CAS Number | 96450-54-3 |
| Catalog Number | AG006QRI(AGN-PC-00NW1N) |
| Chemical Name | 1-(2-Chloroethyl)-5-methyl-1H-pyrazole |
| IUPAC Name | 1-(2-chloroethyl)-5-methylpyrazole |
| InChI | InChI=1S/C6H9ClN2/c1-6-2-4-8-9(6)5-3-7/h2,4H,3,5H2,1H3 |
| InChI Key | WDWVCTCNJGSFCJ-UHFFFAOYSA-N |
| MDL Number | MFCD02855989 |
| Molecular Formula | C6H9ClN2 |
| Molecular Weight | 144.6021 |
| SMILES | N1(CCCl)C(C)=CC=N1 |
| Synonyms | 1-(2-chloroethyl)-5-methyl-1H-pyrazole,
96450-54-3,
CTK5H8731,
DTXSID90548820,
1-(2-chloroethyl)-5-methylpyrazole,
BBL029773,
MFCD02855989,
STK802266,
ZINC13691007,
AKOS006281644,
MCULE-7045320046,
AJ-64319,
DA-18503,
AB1007475,
FT-0713476,
W-9807,
1-(2-Chloroethyl)-5-methyl-1H-pyrazole, AldrichCPR,
null,
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| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 144.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 144.602g/mol |
| Monoisotopic Mass | 144.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number