863868-50-2
2-CYANO-5-METHYLFURAN-3-BORONIC ACID PINACOL ESTER
Name2-CYANO-5-METHYLFURAN-3-BORONIC ACID PINACOL ESTER
1Identification
【Name】
2-CYANO-5-METHYLFURAN-3-BORONIC ACID PINACOL ESTER
【CAS】
【MDL】
MFCD12405446
【English Synonyms】
【Formula】
C12 H16 B N O3
【MolWeight】
233.073
【Inchi】
InChI=1S/C12H16BNO3/c1-8-6-9(10(7-14)15-8)13-16-11(2,3)12(4,5)17-13/h6H,1-5H3
【InChIKey】
InChIKey=QJIFZOSSZOAIOP-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(oc2C#N)C
【MOL File】
2-CYANO-5-METHYLFURA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-CYANO-5-METHYLFURAN-3-BORONIC ACID PINACOL ESTER.cml