| CAS Number | 1803610-61-8 |
| Catalog Number | AG01B7W4(AGN-PC-0WOU08) |
| Chemical Name | 1-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine hydrochloride |
| IUPAC Name | 1-(4-chlorophenyl)-4-methylpyrazol-3-amine;hydrochloride |
| InChI | InChI=1S/C10H10ClN3.ClH/c1-7-6-14(13-10(7)12)9-4-2-8(11)3-5-9;/h2-6H,1H3,(H2,12,13);1H |
| InChI Key | OITRTYCLZARQIT-UHFFFAOYSA-N |
| MDL Number | MFCD28145556 |
| Molecular Formula | C10H11Cl2N3 |
| Molecular Weight | 244.1204 |
| SMILES | Cl.CC1C(N)=NN(C2=CC=C(Cl)C=C2)C=1 |
| Synonyms | 1-(4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine hydrochloride,
1803610-61-8,
AKOS026743504,
Z1993522734,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.119g/mol |
| Monoisotopic Mass | 243.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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