| CAS Number | 90273-59-9 |
| Catalog Number | AG01A4E6(AGN-PC-0EQQB8) |
| Chemical Name | 1-(2,4-dichlorophenyl)-1H-pyrazol-3-amine |
| IUPAC Name | 1-(2,4-dichlorophenyl)pyrazol-3-amine |
| InChI | InChI=1S/C9H7Cl2N3/c10-6-1-2-8(7(11)5-6)14-4-3-9(12)13-14/h1-5H,(H2,12,13) |
| InChI Key | JMZWCUDIHPEHTE-UHFFFAOYSA-N |
| MDL Number | MFCD16845369 |
| Molecular Formula | C9H7Cl2N3 |
| Molecular Weight | 228.0780 |
| SMILES | NC1=NN(C2=C(Cl)C=C(Cl)C=C2)C=C1 |
| Synonyms | 1-(2,4-dichlorophenyl)-1H-pyrazol-3-amine,
90273-59-9,
SCHEMBL2350643,
ZINC54404764,
AKOS011972483,
NE44107,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.076g/mol |
| Monoisotopic Mass | 227.002g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number