| CAS Number | 916211-79-5 |
| Catalog Number | AG00IGSL(AGN-PC-0AM4GB) |
| Chemical Name | 5-Chloro-1H-pyrazol-3-amine |
| IUPAC Name | 5-chloro-1H-pyrazol-3-amine |
| InChI | InChI=1S/C3H4ClN3/c4-2-1-3(5)7-6-2/h1H,(H3,5,6,7) |
| InChI Key | HLMGWUFWDSUGRU-UHFFFAOYSA-N |
| MDL Number | MFCD26518660 |
| Molecular Formula | C3H4ClN3 |
| Molecular Weight | 117.5370 |
| SMILES | NC1=CC(Cl)=NN1 |
| Synonyms | 5-Chloro-1H-pyrazol-3-amine,
916211-79-5,
3-chloro-1H-pyrazol-5-amine,
1H-Pyrazol-3-amine, 5-chloro-,
SCHEMBL8174055,
SCHEMBL17292970,
KS-000004AL,
MFCD19215351,
ZINC82164414,
AKOS006351969,
AKOS022184642,
NE33971,
SB11187,
AS-33928,
SC-38238,
AJ-125082,
CS-0050541,
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| Complexity | 67.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 117.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 117.536g/mol |
| Monoisotopic Mass | 117.009g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number