603122-78-7
METHYL 3-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
NameMETHYL 3-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
1Identification
【Name】
METHYL 3-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE
【CAS】
【MDL】
MFCD16996248
【English Synonyms】
【Formula】
C14 H18 B Cl O4
【MolWeight】
296.556
【Inchi】
InChI=1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)10-7-6-9(8-11(10)16)12(17)18-5/h6-8H,1-5H3
【InChIKey】
InChIKey=HBSRRHCLKMGMCT-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2Cl)C(=O)OC
【MOL File】
METHYL 3-CHLORO-4-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 3-CHLORO-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOATE.cml