500011-92-7
ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE
NameETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE
FormulaC11 H9 Br Cl N3 O2
1Identification
【Name】
ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE
【CAS】
【MDL】
MFCD18260765
【English Synonyms】
【Formula】
C11 H9 Br Cl N3 O2
【MolWeight】
330.568
【Inchi】
InChI=1S/C11H9BrClN3O2/c1-2-18-11(17)8-6-9(12)15-16(8)10-7(13)4-3-5-14-10/h3-6H,2H2,1H3
【InChIKey】
InChIKey=FQMUOIZSRNYHTL-UHFFFAOYSA-N
【SMILES】
CCOC(=O)c1cc(nn1c2c(cccn2)Cl)Br
【MOL File】
ETHYL 3-BROMO-1-(3-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
ETHYL 3-BROMO-1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLE-5-CARBOXYLATE.cml