521269-15-8
5-METHYL-4-(2-METHYL-2-NITROPROPYL)-2-PHENYL-1H-IMIDAZOLE
Name5-METHYL-4-(2-METHYL-2-NITROPROPYL)-2-PHENYL-1H-IMIDAZOLE
1Identification
【Name】
5-METHYL-4-(2-METHYL-2-NITROPROPYL)-2-PHENYL-1H-IMIDAZOLE
【CAS】
【MDL】
MFCD20484038
【English Synonyms】
【Formula】
C14 H17 N3 O2
【MolWeight】
259.307
【Inchi】
InChI=1S/C14H17N3O2/c1-10-12(9-14(2,3)17(18)19)16-13(15-10)11-7-5-4-6-8-11/h4-8H,9H2,1-3H3,(H,15,16)
【InChIKey】
InChIKey=TXZWTBWOSYUGPN-UHFFFAOYSA-N
【SMILES】
Cc1c(nc([nH]1)c2ccccc2)CC(C)(C)[N+](=O)[O-]
【MOL File】
5-METHYL-4-(2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-4-(2-METHYL-2-NITROPROPYL)-2-PHENYL-1H-IMIDAZOLE.cml