51828-42-3
1-(5-CHLORO-3-PHENYLBENZO[B]THIEN-2-YL)-ETHANONE
Name1-(5-CHLORO-3-PHENYLBENZO[B]THIEN-2-YL)-ETHANONE
1Identification
【Name】
1-(5-CHLORO-3-PHENYLBENZO[B]THIEN-2-YL)-ETHANONE
【CAS】
【MDL】
MFCD17019476
【English Synonyms】
【Formula】
C16 H11 Cl O S
【MolWeight】
286.781
【Inchi】
InChI=1S/C16H11ClOS/c1-10(18)16-15(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-16/h2-9H,1H3
【InChIKey】
InChIKey=XBPPEPUIXSWZKG-UHFFFAOYSA-N
【SMILES】
CC(=O)c1c(c2cc(ccc2s1)Cl)c3ccccc3
【MOL File】
1-(5-CHLORO-3-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(5-CHLORO-3-PHENYLBENZO[B]THIEN-2-YL)-ETHANONE.cml