957346-57-5
4-CARBAMOYL-3-FLUOROBENZENEBORONIC ACID PINACOL ESTER
Name4-CARBAMOYL-3-FLUOROBENZENEBORONIC ACID PINACOL ESTER
1Identification
【Name】
4-CARBAMOYL-3-FLUOROBENZENEBORONIC ACID PINACOL ESTER
【CAS】
【MDL】
MFCD17215213
【English Synonyms】
【Formula】
C13 H17 B F N O3
【MolWeight】
265.09
【Inchi】
InChI=1S/C13H17BFNO3/c1-12(2)13(3,4)19-14(18-12)8-5-6-9(11(16)17)10(15)7-8/h5-7H,1-4H3,(H2,16,17)
【InChIKey】
InChIKey=AUQWDALPXJFOBB-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)F)C(=O)N
【MOL File】
4-CARBAMOYL-3-FLUORO….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-FLUOROBENZENEBORONIC ACID PINACOL ESTER.cml