710350-72-4
BENZOIC ACID, 4-CHLORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
NameBENZOIC ACID, 4-CHLORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
1Identification
【Name】
BENZOIC ACID, 4-CHLORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
【CAS】
【MDL】
MFCD16996247
【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)10-8-9(12(17)18-5)6-7-11(10)16/h6-8H,1-5H3
【InChIKey】
InChIKey=WDDNUAMATJHVNI-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(ccc2Cl)C(=O)OC
【MOL File】
BENZOIC ACID, 4-CHLO….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
BENZOIC ACID, 4-CHLORO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER.cml