775351-55-8
2-(2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETONITRILE
Name2-(2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETONITRILE
1Identification
【Name】
2-(2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETONITRILE
【CAS】
【MDL】
MFCD16996351
【English Synonyms】
【Formula】
C15 H20 B N O3
【MolWeight】
273.138
【Inchi】
InChI=1S/C15H20BNO3/c1-14(2)15(3,4)20-16(19-14)12-6-7-13(18-5)11(10-12)8-9-17/h6-7,10H,8H2,1-5H3
【InChIKey】
InChIKey=PZTLNFIMQWQLBK-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)CC#N)OC
【MOL File】
2-(2-METHOXY-5-(4,4,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-(2-METHOXY-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL)ACETONITRILE.cml