524916-42-5
4-AMINO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER
Name4-AMINO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER
1Identification
【Name】
4-AMINO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER
【CAS】
【MDL】
MFCD22493856
【English Synonyms】
【Formula】
C14 H20 B N O4
【MolWeight】
277.126
【Inchi】
InChI=1S/C14H20BNO4/c1-13(2)14(3,4)20-15(19-13)10-8-9(12(17)18-5)6-7-11(10)16/h6-8H,16H2,1-5H3
【InChIKey】
InChIKey=MJOQXIXZHYEHQH-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(ccc2N)C(=O)OC
【MOL File】
4-AMINO-3-(4,4,5,5-T….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-AMINO-3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZOIC ACID, METHYL ESTER.cml