32183-13-4
1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBONITRILE
Name1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBONITRILE
1Identification
【Name】
1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBONITRILE
【CAS】
【MDL】
MFCD00020737
【English Synonyms】
【Formula】
C6 H6 N4 O2
【MolWeight】
166.139
【Inchi】
InChI=1S/C6H6N4O2/c1-4-6(10(11)12)5(3-7)9(2)8-4/h1-2H3
【InChIKey】
InChIKey=HYSDHMFCQHHFGV-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)C)C#N)[N+](=O)[O-]
【MOL File】
1,3-DIMETHYL-4-NITRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,3-DIMETHYL-4-NITRO-1H-PYRAZOLE-5-CARBONITRILE.cml