| CAS Number | 35852-75-6 |
| Catalog Number | AG003J8Q(AGN-PC-0O9A7M) |
| Chemical Name | 3-Chloro-4-nitro-1H-pyrazole |
| IUPAC Name | 5-chloro-4-nitro-1H-pyrazole |
| InChI | InChI=1S/C3H2ClN3O2/c4-3-2(7(8)9)1-5-6-3/h1H,(H,5,6) |
| InChI Key | GWCLPNSISWCBJD-UHFFFAOYSA-N |
| MDL Number | MFCD16619868 |
| Molecular Formula | C3H2ClN3O2 |
| Molecular Weight | 147.5199 |
| SMILES | O=[N+](C1=CNN=C1Cl)[O-] |
| Synonyms | 3-Chloro-4-nitro-1H-pyrazole,
35852-75-6,
5-chloro-4-nitro-1H-pyrazole,
1H-Pyrazole, 3-chloro-4-nitro-,
5-chloro-4-nitropyrazole,
3-Chloro-4-nitropyrazole,
SCHEMBL7114713,
GWCLPNSISWCBJD-UHFFFAOYSA-N,
MFCD16619868,
ZINC95930244,
AKOS022176977,
AS-52580,
AJ-136149,
CS-0051412,
FT-0746251,
KS-00000031,
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| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.984g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 147.518g/mol |
| Monoisotopic Mass | 146.984g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 74.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number