10434-45-4
3-ACETYL-5-(P-BROMOBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE
Name3-ACETYL-5-(P-BROMOBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE
1Identification
【Name】
3-ACETYL-5-(P-BROMOBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE
【CAS】
【MDL】
MFCD01680112
【English Synonyms】
【Formula】
C13 H9 Br O3 S
【MolWeight】
325.181
【Inchi】
InChI=1S/C13H9BrO3S/c1-7(15)11-12(16)10(18-13(11)17)6-8-2-4-9(14)5-3-8/h2-6,16H,1H3/b10-6+
【InChIKey】
InChIKey=FDMGTQLYHOHKCL-UXBLZVDNSA-N
【SMILES】
CC(=O)C1=C(/C(=C\c2ccc(cc2)Br)/SC1=O)O
【MOL File】
3-ACETYL-5-(P-BROMOB….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-ACETYL-5-(P-BROMOBENZYLIDENE)-4-HYDROXY-2(5H)-THIOPHENONE.cml