58686-69-4
(3-TRIFLUOROMETHYL-PHENYL)-PROPYNOIC ACID ETHYL ESTER
Name(3-TRIFLUOROMETHYL-PHENYL)-PROPYNOIC ACID ETHYL ESTER
1Identification
【Name】
(3-TRIFLUOROMETHYL-PHENYL)-PROPYNOIC ACID ETHYL ESTER
【CAS】
【MDL】
MFCD07772996
【English Synonyms】
【Formula】
C12 H9 F3 O2
【MolWeight】
242.195
【Inchi】
InChI=1S/C12H9F3O2/c1-2-17-11(16)7-6-9-4-3-5-10(8-9)12(13,14)15/h3-5,8H,2H2,1H3
【InChIKey】
InChIKey=PFSQMVYWLYJUMQ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)C#Cc1cccc(c1)C(F)(F)F
【MOL File】
(3-TRIFLUOROMETHYL-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(3-TRIFLUOROMETHYL-PHENYL)-PROPYNOIC ACID ETHYL ESTER.cml