HIT ID: HIT104903822
Cas No: 1160514-60-2
分子式: C16H11Cl3F3N3O3
分子量: 456.63
常用名: Pyr3
氢键受体数 (HBA): 3
氢键供体数 (HBD): 1
LogP: 4.354483
IUPAC: ethyl 1-[4-(2,3,3-trichloroprop-2-enamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
IUPAC: ethyl 1-[4-(2,3,3-trichloroprop-2-enamido)phenyl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate
SMILES: [#6]-[#6]-[#8]-[#6](=O)-c1cnn(c1C(F)(F)F)-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1
SMILES: [#6]-[#6]-[#8]-[#6](=O)-c1cnn(c1C(F)(F)F)-c1ccc(-[#7]-[#6](=O)-[#6](\Cl)=[#6](/Cl)Cl)cc1
InChI key: RZHGONNSASQOAY-UHFFFAOYSA-N
