870099-01-7
TERT-BUTYL 6-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-1-CARBOXYLATE
NameTERT-BUTYL 6-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-1-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 6-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-1-CARBOXYLATE
【CAS】
【MDL】
MFCD16660067
【English Synonyms】
【Formula】
C19 H25 B Br N O4
【MolWeight】
422.125
【Inchi】
InChI=1S/C19H25BBrNO4/c1-17(2,3)24-16(23)22-14-11-13(21)9-8-12(14)10-15(22)20-25-18(4,5)19(6,7)26-20/h8-11H,1-7H3
【InChIKey】
InChIKey=LFIDMAGNCYCDBT-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc3ccc(cc3n2C(=O)OC(C)(C)C)Br
【MOL File】
TERT-BUTYL 6-BROMO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 6-BROMO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDOLE-1-CARBOXYLATE.cml