26905-70-4
2-(4-CHLORO-3-HYDROXY-1-BUTYNYL)-5-(1,3-PENTADIYNYL)THIOPHENE
Name2-(4-CHLORO-3-HYDROXY-1-BUTYNYL)-5-(1,3-PENTADIYNYL)THIOPHENE
1Identification
【Name】
2-(4-CHLORO-3-HYDROXY-1-BUTYNYL)-5-(1,3-PENTADIYNYL)THIOPHENE
【CAS】
【MDL】
MFCD17168569
【English Synonyms】
【Formula】
C13 H9 Cl O S
【MolWeight】
248.732
【Inchi】
InChI=1S/C13H9ClOS/c1-2-3-4-5-12-8-9-13(16-12)7-6-11(15)10-14/h8-9,11,15H,10H2,1H3
【InChIKey】
InChIKey=YSYBCKHAFOAQDX-UHFFFAOYSA-N
【SMILES】
CC#CC#Cc1ccc(s1)C#CC(CCl)O
【MOL File】
2-(4-CHLORO-3-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(4-CHLORO-3-HYDROXY-1-BUTYNYL)-5-(1,3-PENTADIYNYL)THIOPHENE.cml