944450-81-1
PENTAFLUOROPHENYL 2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]ISONICOTINATE
NamePENTAFLUOROPHENYL 2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]ISONICOTINATE
1Identification
【Name】
PENTAFLUOROPHENYL 2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]ISONICOTINATE
【CAS】
【MDL】
MFCD09966147
【English Synonyms】
【Formula】
C21 H20 F5 N3 O4
【MolWeight】
473.396
【Inchi】
InChI=1S/C21H20F5N3O4/c1-21(2,3)33-20(31)29-8-6-28(7-9-29)12-10-11(4-5-27-12)19(30)32-18-16(25)14(23)13(22)15(24)17(18)26/h4-5,10H,6-9H2,1-3H3
【InChIKey】
InChIKey=XHATYMDMSNXMKQ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCN(CC1)c2cc(ccn2)C(=O)Oc3c(c(c(c(c3F)F)F)F)F
【MOL File】
PENTAFLUOROPHENYL 2-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
PENTAFLUOROPHENYL 2-[4-(TERT-BUTOXYCARBONYL)PIPERAZIN-1-YL]ISONICOTINATE.cml