521294-12-2
BENZOIC ACID, 2,4,5-TRIFLUORO-, 4-HYDROXYBUTYL ESTER
NameBENZOIC ACID, 2,4,5-TRIFLUORO-, 4-HYDROXYBUTYL ESTER
1Identification
【Name】
BENZOIC ACID, 2,4,5-TRIFLUORO-, 4-HYDROXYBUTYL ESTER
【CAS】
【MDL】
MFCD20257367
【English Synonyms】
【Formula】
C11 H11 F3 O3
【MolWeight】
248.199
【Inchi】
InChI=1S/C11H11F3O3/c12-8-6-10(14)9(13)5-7(8)11(16)17-4-2-1-3-15/h5-6,15H,1-4H2
【InChIKey】
InChIKey=XHUSIJNEPXFXBY-UHFFFAOYSA-N
【SMILES】
c1c(c(cc(c1F)F)F)C(=O)OCCCCO
【MOL File】
BENZOIC ACID, 2,4,5-….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
BENZOIC ACID, 2,4,5-TRIFLUORO-, 4-HYDROXYBUTYL ESTER.cml