733757-89-6
TERT-BUTYL 3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE
NameTERT-BUTYL 3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE
【CAS】
【MDL】
MFCD11044974
【English Synonyms】
【Formula】
C12 H16 F3 N3 O2
【MolWeight】
291.271
【Inchi】
InChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-7-8(6-18)16-17-9(7)12(13,14)15/h4-6H2,1-3H3,(H,16,17)
【InChIKey】
InChIKey=XMKZXGSZQPUXKJ-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2c([nH]nc2C(F)(F)F)C1
【MOL File】
TERT-BUTYL 3-(TRIFLU….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 3-(TRIFLUOROMETHYL)-4,5-DIHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-6(7H)-CARBOXYLATE.cml