1009303-80-3
7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)QUINAZOLIN-4(3H)-ONE
Name7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)QUINAZOLIN-4(3H)-ONE
1Identification
【Name】
7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)QUINAZOLIN-4(3H)-ONE
【CAS】
【MDL】
MFCD16996017
【English Synonyms】
【Formula】
C14 H17 B N2 O3
【MolWeight】
272.11
【Inchi】
InChI=1S/C14H17BN2O3/c1-13(2)14(3,4)20-15(19-13)9-5-6-10-11(7-9)16-8-17-12(10)18/h5-8H,1-4H3,(H,16,17,18)
【InChIKey】
InChIKey=PTVXSVSAFQKRIZ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)nc[nH]c3=O
【MOL File】
7-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)QUINAZOLIN-4(3H)-ONE.cml