4702-91-4
3-METHYL-4-(4-NITROPHENYLAZO)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE
Name3-METHYL-4-(4-NITROPHENYLAZO)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE
1Identification
【Name】
3-METHYL-4-(4-NITROPHENYLAZO)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE
【CAS】
【MDL】
MFCD00100163
【English Synonyms】
【Formula】
C16 H13 N5 O3
【MolWeight】
323.311
【Inchi】
InChI=1S/C16H13N5O3/c1-11-15(16(22)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)21(23)24/h2-10,15H,1H3/b18-17+
【InChIKey】
InChIKey=BYBIBYBLMSEYRI-ISLYRVAYSA-N
【SMILES】
CC1=NN(C(=O)C1/N=N/c2ccc(cc2)[N+](=O)[O-])c3ccccc3
【MOL File】
3-METHYL-4-(4-NITROP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:8
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-METHYL-4-(4-NITROPHENYLAZO)-1-PHENYL-1H-PYRAZOL-5(4H)-ONE.cml