| CAS Number | 956186-49-5 |
| Catalog Number | AG00ISHI(AGN-PC-0WAX07) |
| Chemical Name | 4-chloro-N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline |
| IUPAC Name | 4-chloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline |
| InChI | InChI=1S/C12H10Cl2F3N3/c1-20-11(14)9(10(19-20)12(15,16)17)6-18-8-4-2-7(13)3-5-8/h2-5,18H,6H2,1H3 |
| InChI Key | WEUDYKQEQHVJRW-UHFFFAOYSA-N |
| MDL Number | MFCD03012492 |
| Molecular Formula | C12H10Cl2F3N3 |
| Molecular Weight | 324.1291 |
| SMILES | ClC2(=CC=C(NCC1(=C(Cl)N(C)N=C1C(F)(F)F))C=C2) |
| Synonyms | 4-chloro-N-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}aniline,
956186-49-5,
Bionet2_001328,
AC1NQ36Z,
HMS1367M08,
KS-000020UJ,
ZINC5886613,
AKOS005102347,
MCULE-2913383784,
8R-1155,
4-chloro-N-[[5-chloro-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]aniline,
CID5168877,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.128g/mol |
| Monoisotopic Mass | 323.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number