477853-32-0
5-METHYL-2-(3-NITROPHENYL)-4-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
Name5-METHYL-2-(3-NITROPHENYL)-4-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
1Identification
【Name】
5-METHYL-2-(3-NITROPHENYL)-4-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD00140647
【English Synonyms】
【Formula】
C16 H13 N3 O3
【MolWeight】
295.297
【Inchi】
InChI=1S/C16H13N3O3/c1-11-15(12-6-3-2-4-7-12)16(20)18(17-11)13-8-5-9-14(10-13)19(21)22/h2-10,17H,1H3
【InChIKey】
InChIKey=AZYSDRGARDURMY-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)n([nH]1)c2cccc(c2)[N+](=O)[O-])c3ccccc3
【MOL File】
5-METHYL-2-(3-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(3-NITROPHENYL)-4-PHENYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE.cml