866625-02-7
BENZOIC ACID, 5-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
NameBENZOIC ACID, 5-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
pro_formulaC14 H18 B Cl O4
1Identification
【Name】
BENZOIC ACID, 5-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER
【CAS】
【MDL】
MFCD16996244
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C14 H18 B Cl O4
【pro_molWeight】
296.556
【Inchi】
InChI=1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)11-7-6-9(16)8-10(11)12(17)18-5/h6-8H,1-5H3
【InChIKey】
InChIKey=DTQHAEYLCILHNJ-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2C(=O)OC)Cl
【MOL File】
BENZOIC ACID, 5-CHLO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:4
XLogP3:2.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
BENZOIC ACID, 5-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, METHYL ESTER.cml