942070-50-0
7-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-C]PYRIDINE
Name7-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-C]PYRIDINE
FormulaC13 H16 B Cl N2 O2
1Identification
【Name】
7-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-C]PYRIDINE
【CAS】
【MDL】
MFCD12405489
【English Synonyms】
【Formula】
C13 H16 B Cl N2 O2
【MolWeight】
278.545
【Inchi】
InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-8-5-6-16-11(15)10(8)17-9/h5-7,17H,1-4H3
【InChIKey】
InChIKey=AUILFKILUDUEJP-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc3ccnc(c3[nH]2)Cl
【MOL File】
7-CHLORO-2-(4,4,5,5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-C]PYRIDINE.cml