631912-39-5
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 6-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
Name1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 6-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 6-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD13182514
【English Synonyms】
【Formula】
C19 H27 B N2 O4
【MolWeight】
358.243
【Inchi】
InChI=1S/C19H27BN2O4/c1-12-9-15-14(21-11-22(15)16(23)24-17(2,3)4)10-13(12)20-25-18(5,6)19(7,8)26-20/h9-11H,1-8H3
【InChIKey】
InChIKey=MOQNZLDCVCZKFK-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc3c(cc2C)n(cn3)C(=O)OC(C)(C)C
【MOL File】
1H-BENZIMIDAZOLE-1-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1H-BENZIMIDAZOLE-1-CARBOXYLIC ACID, 6-METHYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-, 1,1-DIMETHYLETHYL ESTER.cml