500011-91-6
5-BROMO-2-(3-CHLORO-PYRIDIN-2-YL)-3,4-DIHYDRO-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
Name5-BROMO-2-(3-CHLORO-PYRIDIN-2-YL)-3,4-DIHYDRO-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
FormulaC11 H11 Br Cl N3 O2
1Identification
【Name】
5-BROMO-2-(3-CHLORO-PYRIDIN-2-YL)-3,4-DIHYDRO-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD09955583
【English Synonyms】
【Formula】
C11 H11 Br Cl N3 O2
【MolWeight】
332.584
【Inchi】
InChI=1S/C11H11BrClN3O2/c1-2-18-11(17)8-6-9(12)15-16(8)10-7(13)4-3-5-14-10/h3-5,8H,2,6H2,1H3
【InChIKey】
InChIKey=GUAZTUMVVYURLC-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C1CC(=NN1c2c(cccn2)Cl)Br
【MOL File】
5-BROMO-2-(3-CHLORO-….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
5-BROMO-2-(3-CHLORO-PYRIDIN-2-YL)-3,4-DIHYDRO-2H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER.cml