89363-91-7
4-BROMO-1,2-DIHYDRO-5-METHYL-3H-PYRAZOL-3-ONE
Name4-BROMO-1,2-DIHYDRO-5-METHYL-3H-PYRAZOL-3-ONE
1Identification
【Name】
4-BROMO-1,2-DIHYDRO-5-METHYL-3H-PYRAZOL-3-ONE
【CAS】
【MDL】
MFCD16620112
【English Synonyms】
【Formula】
C4 H5 Br N2 O
【MolWeight】
177.001
【Inchi】
InChI=1S/C4H5BrN2O/c1-2-3(5)4(8)7-6-2/h1H3,(H2,6,7,8)
【InChIKey】
InChIKey=JFEULJIQSHXRQK-UHFFFAOYSA-N
【SMILES】
Cc1c(c(=O)[nH][nH]1)Br
【MOL File】
4-BROMO-1,2-DIHYDRO-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-BROMO-1,2-DIHYDRO-5-METHYL-3H-PYRAZOL-3-ONE.cml