1220220-02-9
2-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
Name2-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
FormulaC12 H14 B Cl N2 O2
1Identification
【Name】
2-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE
【CAS】
【MDL】
MFCD16995191
【English Synonyms】
【Formula】
C12 H14 B Cl N2 O2
【MolWeight】
264.519
【Inchi】
InChI=1S/C12H14BClN2O2/c1-11(2)12(3,4)18-13(17-11)9-5-8(6-15)10(14)16-7-9/h5,7H,1-4H3
【InChIKey】
InChIKey=XSZUJNRSDIJZEB-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(c(nc2)Cl)C#N
【MOL File】
2-CHLORO-5-(4,4,5,5-….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-CHLORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)NICOTINONITRILE.cml