500879-10-7
3-[2-FORMYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY]-BENZONITRILE
Name3-[2-FORMYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY]-BENZONITRILE
1Identification
【Name】
3-[2-FORMYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY]-BENZONITRILE
【CAS】
【MDL】
MFCD22494433
【English Synonyms】
【Formula】
C20 H20 B N O4
【MolWeight】
349.192
【Inchi】
InChI=1S/C20H20BNO4/c1-19(2)20(3,4)26-21(25-19)16-8-9-18(15(11-16)13-23)24-17-7-5-6-14(10-17)12-22/h5-11,13H,1-4H3
【InChIKey】
InChIKey=MFVORHUOWZZYCR-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(c(c2)C=O)Oc3cccc(c3)C#N
【MOL File】
3-[2-FORMYL-4-(4,4,5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-[2-FORMYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENOXY]-BENZONITRILE.cml