955978-82-2
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-6-(TRIFLUOROMETHYL)-1H-INDOLE
Name4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-6-(TRIFLUOROMETHYL)-1H-INDOLE
1Identification
【Name】
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-6-(TRIFLUOROMETHYL)-1H-INDOLE
【CAS】
【MDL】
MFCD17215882
【English Synonyms】
【Formula】
C15 H17 B F3 N O2
【MolWeight】
311.109
【Inchi】
InChI=1S/C15H17BF3NO2/c1-13(2)14(3,4)22-16(21-13)11-7-9(15(17,18)19)8-12-10(11)5-6-20-12/h5-8,20H,1-4H3
【InChIKey】
InChIKey=MMDAPXPYKCPQRN-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc3c2cc[nH]3)C(F)(F)F
【MOL File】
4-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-6-(TRIFLUOROMETHYL)-1H-INDOLE.cml