50737-69-4
2-(2,4-DINITROPHENYL)-2,4-DIHYDRO-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE
Name2-(2,4-DINITROPHENYL)-2,4-DIHYDRO-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE
1Identification
【Name】
2-(2,4-DINITROPHENYL)-2,4-DIHYDRO-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD17019473
【English Synonyms】
【Formula】
C16 H12 N4 O5
【MolWeight】
340.294
【Inchi】
InChI=1S/C16H12N4O5/c1-10-15(11-5-3-2-4-6-11)16(21)18(17-10)13-8-7-12(19(22)23)9-14(13)20(24)25/h2-9,15H,1H3
【InChIKey】
InChIKey=GUAIZFFDGGGGMR-UHFFFAOYSA-N
【SMILES】
CC1=NN(C(=O)C1c2ccccc2)c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-]
【MOL File】
2-(2,4-DINITROPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(2,4-DINITROPHENYL)-2,4-DIHYDRO-5-METHYL-4-PHENYL-3H-PYRAZOL-3-ONE.cml