1309980-15-1
3-NITRO-N-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
Name3-NITRO-N-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
1Identification
【Name】
3-NITRO-N-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE
【CAS】
【MDL】
MFCD17011818
【English Synonyms】
【Formula】
C19 H21 B N2 O5
【MolWeight】
368.195
【Inchi】
InChI=1S/C19H21BN2O5/c1-18(2)19(3,4)27-20(26-18)14-10-13(11-16(12-14)22(24)25)17(23)21-15-8-6-5-7-9-15/h5-12H,1-4H3,(H,21,23)
【InChIKey】
InChIKey=KSKXAUWSUIJJNE-UHFFFAOYSA-N
【SMILES】
B1(OC(C(O1)(C)C)(C)C)c2cc(cc(c2)[N+](=O)[O-])C(=O)Nc3ccccc3
【MOL File】
3-NITRO-N-PHENYL-5-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-NITRO-N-PHENYL-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZAMIDE.cml