| CAS Number | 1365630-37-0 |
| Catalog Number | AG01AA0S |
| Chemical Name | 4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-imine |
| IUPAC Name | 4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-amine |
| InChI | InChI=1S/C11H9ClF3N3/c1-18-10(16)8(9(17-18)11(13,14)15)6-2-4-7(12)5-3-6/h2-5H,16H2,1H3 |
| InChI Key | VQCZHBCAFWLDKX-UHFFFAOYSA-N |
| MDL Number | MFCD26143819 |
| Molecular Formula | C11H9ClF3N3 |
| Molecular Weight | 275.6575 |
| SMILES | CN1C(=N)C(C2=CC=C(Cl)C=C2)=C(C(F)(F)F)N1 |
| Synonyms | 4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-3-imine,
1365630-37-0,
4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-amine,
63156-78-5,
AC1Q404X,
CTK1I8062,
DTXSID90651681,
ZINC20272836,
AKOS008124493,
ZINC102797703,
MCULE-5308250317,
NE28414,
EN300-66725,
1H-Pyrazol-5-amine, 4-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-,
4-(4-chlorophenyl)-2-methyl-5-(trifluoromethyl)pyrazol-3-amine,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.044g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.659g/mol |
| Monoisotopic Mass | 275.044g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
Lot Number