| CAS Number | 299930-70-4 |
| Catalog Number | AG00BF6V(AGN-PC-0WNGD6) |
| Chemical Name | 3-Chloro-1-methyl-4-nitro-1H-pyrazole |
| IUPAC Name | 3-chloro-1-methyl-4-nitropyrazole |
| InChI | InChI=1S/C4H4ClN3O2/c1-7-2-3(8(9)10)4(5)6-7/h2H,1H3 |
| InChI Key | UEDIAFCRVLLBSS-UHFFFAOYSA-N |
| MDL Number | MFCD00463968 |
| Molecular Formula | C4H4ClN3O2 |
| Molecular Weight | 161.5465 |
| SMILES | Cn1nc(c(c1)[N+](=O)[O-])Cl |
| Synonyms | 3-Chloro-1-methyl-4-nitro-1H-pyrazole,
299930-70-4,
1H-Pyrazole, 3-chloro-1-methyl-4-nitro-,
SCHEMBL2067197,
UEDIAFCRVLLBSS-UHFFFAOYSA-N,
3-chloro-1-methyl-4-nitropyrazole,
BCP12277,
CS-B1214,
KS-00000R8F,
MFCD00463968,
ZINC117934957,
AK312251,
DS-11832,
SY127494,
MFCD00463968 (95%),
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.545g/mol |
| Monoisotopic Mass | 160.999g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number