85605-94-3
METHYL 4-FLUORO-1H-PYRAZOLE-3-CARBOXYLATE
NameMETHYL 4-FLUORO-1H-PYRAZOLE-3-CARBOXYLATE
1Identification
【Name】
METHYL 4-FLUORO-1H-PYRAZOLE-3-CARBOXYLATE
【CAS】
【MDL】
MFCD16619840
【English Synonyms】
【Formula】
C5 H5 F N2 O2
【MolWeight】
144.105
【Inchi】
InChI=1S/C5H5FN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)
【InChIKey】
InChIKey=SQWUFARRBCUQFD-UHFFFAOYSA-N
【SMILES】
COC(=O)c1c(c[nH]n1)F
【MOL File】
METHYL 4-FLUORO-1H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
METHYL 4-FLUORO-1H-PYRAZOLE-3-CARBOXYLATE.cml