508178-17-4
1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[3-NITRO-5-(PHENYLMETHOXY)PHENYL]-
Name1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[3-NITRO-5-(PHENYLMETHOXY)PHENYL]-
1Identification
【Name】
1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[3-NITRO-5-(PHENYLMETHOXY)PHENYL]-
【CAS】
【MDL】
MFCD22494340
【English Synonyms】
【Formula】
C19 H22 B N O5
【MolWeight】
355.196
【Inchi】
InChI=1S/C19H22BNO5/c1-18(2)19(3,4)26-20(25-18)15-10-16(21(22)23)12-17(11-15)24-13-14-8-6-5-7-9-14/h5-12H,13H2,1-4H3
【InChIKey】
InChIKey=VTYQTYRFBYEMMB-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)OCc3ccccc3)[N+](=O)[O-]
【MOL File】
1,3,2-DIOXABOROLANE,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3,2-DIOXABOROLANE, 4,4,5,5-TETRAMETHYL-2-[3-NITRO-5-(PHENYLMETHOXY)PHENYL]-.cml