58010-98-3
4-(2,4-DICHLOROBENZOYL)-5-HYDROXY-1,3-DIMETHYL-1H-PYRAZOLE
Name4-(2,4-DICHLOROBENZOYL)-5-HYDROXY-1,3-DIMETHYL-1H-PYRAZOLE
1Identification
【Name】
4-(2,4-DICHLOROBENZOYL)-5-HYDROXY-1,3-DIMETHYL-1H-PYRAZOLE
【CAS】
【MDL】
MFCD03701644
【English Synonyms】
【Formula】
C12 H10 Cl2 N2 O2
【MolWeight】
285.129
【Inchi】
InChI=1S/C12H10Cl2N2O2/c1-6-10(12(18)16(2)15-6)11(17)8-4-3-7(13)5-9(8)14/h3-5,18H,1-2H3
【InChIKey】
InChIKey=XMSHRLOQLUNKSN-UHFFFAOYSA-N
【SMILES】
Cc1c(c(n(n1)C)O)C(=O)c2ccc(cc2Cl)Cl
【MOL File】
4-(2,4-DICHLOROBENZO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2,4-DICHLOROBENZOYL)-5-HYDROXY-1,3-DIMETHYL-1H-PYRAZOLE.cml