| CAS Number | 42110-76-9 |
| Catalog Number | AG00CKS5(AGN-PC-0WAKHV) |
| Chemical Name | 5-Chloro-1-methyl-1H-pyrazole |
| IUPAC Name | 5-chloro-1-methylpyrazole |
| InChI | InChI=1S/C4H5ClN2/c1-7-4(5)2-3-6-7/h2-3H,1H3 |
| InChI Key | UFXKNUCUAXZUEB-UHFFFAOYSA-N |
| MDL Number | MFCD23378582 |
| Molecular Formula | C4H5ClN2 |
| Molecular Weight | 116.5489 |
| SMILES | ClC1=CC=NN1C |
| Synonyms | 5-Chloro-1-methyl-1H-pyrazole,
42110-76-9,
5-chloro-1-methylpyrazole,
SCHEMBL1308117,
ZINC39210078,
AKOS021555956,
SB10383,
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| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 116.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 116.548g/mol |
| Monoisotopic Mass | 116.014g/mol |
| Rotatable Bond Count | 0 |
| 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
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