957345-69-6
4-CARBAMOYL-3,5-DIFLUOROBENZENEBORONIC ACID PINACOL ESTER
Name4-CARBAMOYL-3,5-DIFLUOROBENZENEBORONIC ACID PINACOL ESTER
1Identification
【Name】
4-CARBAMOYL-3,5-DIFLUOROBENZENEBORONIC ACID PINACOL ESTER
【CAS】
【MDL】
MFCD17215212
【English Synonyms】
【Formula】
C13 H16 B F2 N O3
【MolWeight】
283.08
【Inchi】
InChI=1S/C13H16BF2NO3/c1-12(2)13(3,4)20-14(19-12)7-5-8(15)10(11(17)18)9(16)6-7/h5-6H,1-4H3,(H2,17,18)
【InChIKey】
InChIKey=GSZDBQKZAWFMIC-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(c(c2)F)C(=O)N)F
【MOL File】
4-CARBAMOYL-3,5-DIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-CARBAMOYL-3,5-DIFLUOROBENZENEBORONIC ACID PINACOL ESTER.cml