1008119-07-0
2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
Name2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
1Identification
【Name】
2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD16996277
【English Synonyms】
【Formula】
C13 H15 B F2 O4
【MolWeight】
284.065
【Inchi】
InChI=1S/C13H15BF2O4/c1-12(2)13(3,4)20-14(19-12)7-5-8(15)10(11(17)18)9(16)6-7/h5-6H,1-4H3,(H,17,18)
【InChIKey】
InChIKey=OGQFSRYMVQGPRZ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(c(c2)F)C(=O)O)F
【MOL File】
2,6-DIFLUORO-4-(4,4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2,6-DIFLUORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID.cml