56063-87-7
1-(2-CHLORO-4-NITROPHENYL)-3-HYDROXY-4,5-DIHYDRO-1H-PYRAZOLE
Name1-(2-CHLORO-4-NITROPHENYL)-3-HYDROXY-4,5-DIHYDRO-1H-PYRAZOLE
1Identification
【Name】
1-(2-CHLORO-4-NITROPHENYL)-3-HYDROXY-4,5-DIHYDRO-1H-PYRAZOLE
【CAS】
【MDL】
MFCD09749410
【English Synonyms】
【Formula】
C9 H8 Cl N3 O3
【MolWeight】
241.633
【Inchi】
InChI=1S/C9H8ClN3O3/c10-7-5-6(13(15)16)1-2-8(7)12-4-3-9(14)11-12/h1-2,5H,3-4H2,(H,11,14)
【InChIKey】
InChIKey=FQHVIQXWFXTMJF-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1[N+](=O)[O-])Cl)N2CCC(=N2)O
【MOL File】
1-(2-CHLORO-4-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
1-(2-CHLORO-4-NITROPHENYL)-3-HYDROXY-4,5-DIHYDRO-1H-PYRAZOLE.cml