953411-16-0
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOL-3-AMINE
Name5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOL-3-AMINE
1Identification
【Name】
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOL-3-AMINE
【CAS】
【MDL】
MFCD16995867
【English Synonyms】
【Formula】
C13 H18 B N3 O2
【MolWeight】
259.115
【Inchi】
InChI=1S/C13H18BN3O2/c1-12(2)13(3,4)19-14(18-12)8-5-6-10-9(7-8)11(15)17-16-10/h5-7H,1-4H3,(H3,15,16,17)
【InChIKey】
InChIKey=IVUMUNXPWHOTHY-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)c(n[nH]3)N
【MOL File】
5-(4,4,5,5-TETRAMETH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-INDAZOL-3-AMINE.cml