1073355-06-2
3-(TETRAHYDROFURFURYLAMINOCARBONYL)PHENYLBORONIC ACID PINACOL ESTER
Name3-(TETRAHYDROFURFURYLAMINOCARBONYL)PHENYLBORONIC ACID PINACOL ESTER
1Identification
【Name】
3-(TETRAHYDROFURFURYLAMINOCARBONYL)PHENYLBORONIC ACID PINACOL ESTER
【CAS】
【MDL】
MFCD09266189
【English Synonyms】
【Formula】
C18 H26 B N O4
【MolWeight】
331.217
【Inchi】
InChI=1S/C18H26BNO4/c1-17(2)18(3,4)24-19(23-17)14-8-5-7-13(11-14)16(21)20-12-15-9-6-10-22-15/h5,7-8,11,15H,6,9-10,12H2,1-4H3,(H,20,21)
【InChIKey】
InChIKey=KHXJYLFLGVPADA-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cccc(c2)C(=O)NCC3CCCO3
【MOL File】
3-(TETRAHYDROFURFURY….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
3-(TETRAHYDROFURFURYLAMINOCARBONYL)PHENYLBORONIC ACID PINACOL ESTER.cml