521294-13-3
BENZOIC ACID, 2,4-DIFLUORO-, 4-HYDROXYBUTYL ESTER
NameBENZOIC ACID, 2,4-DIFLUORO-, 4-HYDROXYBUTYL ESTER
1Identification
【Name】
BENZOIC ACID, 2,4-DIFLUORO-, 4-HYDROXYBUTYL ESTER
【CAS】
【MDL】
MFCD20257368
【English Synonyms】
【Formula】
C11 H12 F2 O3
【MolWeight】
230.209
【Inchi】
InChI=1S/C11H12F2O3/c12-8-3-4-9(10(13)7-8)11(15)16-6-2-1-5-14/h3-4,7,14H,1-2,5-6H2
【InChIKey】
InChIKey=IEBVKNNPQNUKGX-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1F)F)C(=O)OCCCCO
【MOL File】
BENZOIC ACID, 2,4-DI….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-DIFLUORO-, 4-HYDROXYBUTYL ESTER.cml