521069-47-6
5-(ACETYLAMINO)-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER
Name5-(ACETYLAMINO)-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER
1Identification
【Name】
5-(ACETYLAMINO)-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD22494582
【English Synonyms】
【Formula】
C16 H22 B N O5
【MolWeight】
319.163
【Inchi】
InChI=1S/C16H22BNO5/c1-10(19)18-11-7-8-13(12(9-11)14(20)21-6)17-22-15(2,3)16(4,5)23-17/h7-9H,1-6H3,(H,18,19)
【InChIKey】
InChIKey=FQJNMTQUBZXTLS-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2C(=O)OC)NC(=O)C
【MOL File】
5-(ACETYLAMINO)-2-(4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(ACETYLAMINO)-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER.cml