847971-81-7
4-(2-CHLORO-4-TRIFLUOROMETHYLPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Name4-(2-CHLORO-4-TRIFLUOROMETHYLPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
FormulaC16 H20 Cl F3 N2 O2
1Identification
【Name】
4-(2-CHLORO-4-TRIFLUOROMETHYLPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD11872613
【English Synonyms】
【Formula】
C16 H20 Cl F3 N2 O2
【MolWeight】
364.793
【Inchi】
InChI=1S/C16H20ClF3N2O2/c1-15(2,3)24-14(23)22-8-6-21(7-9-22)13-5-4-11(10-12(13)17)16(18,19)20/h4-5,10H,6-9H2,1-3H3
【InChIKey】
InChIKey=BMSUIVADKSNOPL-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2Cl)C(F)(F)F
【MOL File】
4-(2-CHLORO-4-TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-CHLORO-4-TRIFLUOROMETHYLPHENYL)PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER.cml