864759-40-0
N-(2-CHLORO-PYRIDIN-3-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
NameN-(2-CHLORO-PYRIDIN-3-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
FormulaC18 H20 B Cl N2 O3
1Identification
【Name】
N-(2-CHLORO-PYRIDIN-3-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE
【CAS】
【MDL】
MFCD08706136
【English Synonyms】
【Formula】
C18 H20 B Cl N2 O3
【MolWeight】
358.631
【Inchi】
InChI=1S/C18H20BClN2O3/c1-17(2)18(3,4)25-19(24-17)13-9-7-12(8-10-13)16(23)22-14-6-5-11-21-15(14)20/h5-11H,1-4H3,(H,22,23)
【InChIKey】
InChIKey=BLCRLVXHFKWBOL-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)C(=O)Nc3cccnc3Cl
【MOL File】
N-(2-CHLORO-PYRIDIN-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-CHLORO-PYRIDIN-3-YL)-4-(4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLAN-2-YL)-BENZAMIDE.cml