757192-83-9
1-[1-(3-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-2-CHLOROETHAN-1-ONE
Name1-[1-(3-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-2-CHLOROETHAN-1-ONE
1Identification
【Name】
1-[1-(3-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-2-CHLOROETHAN-1-ONE
【CAS】
【MDL】
MFCD06340101
【English Synonyms】
【Formula】
C14 H13 Br Cl N O
【MolWeight】
326.62
【Inchi】
InChI=1S/C14H13BrClNO/c1-9-6-13(14(18)8-16)10(2)17(9)12-5-3-4-11(15)7-12/h3-7H,8H2,1-2H3
【InChIKey】
InChIKey=XRZKRJMMLOKWAT-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(n1c2cccc(c2)Br)C)C(=O)CCl
【MOL File】
1-[1-(3-BROMOPHENYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-[1-(3-BROMOPHENYL)-2,5-DIMETHYL-1H-PYRROL-3-YL]-2-CHLOROETHAN-1-ONE.cml