50687-70-2
3-CHLORO-4-HYDROXYBENZOIC ACID 4-PENTYLPHENYL ESTER
Name3-CHLORO-4-HYDROXYBENZOIC ACID 4-PENTYLPHENYL ESTER
1Identification
【Name】
3-CHLORO-4-HYDROXYBENZOIC ACID 4-PENTYLPHENYL ESTER
【CAS】
【MDL】
MFCD18969402
【English Synonyms】
【Formula】
C18 H19 Cl O3
【MolWeight】
318.798
【Inchi】
InChI=1S/C18H19ClO3/c1-2-3-4-5-13-6-9-15(10-7-13)22-18(21)14-8-11-17(20)16(19)12-14/h6-12,20H,2-5H2,1H3
【InChIKey】
InChIKey=MBWAFEFPEJYWGU-UHFFFAOYSA-N
【SMILES】
CCCCCc1ccc(cc1)OC(=O)c2ccc(c(c2)Cl)O
【MOL File】
3-CHLORO-4-HYDROXYBE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-CHLORO-4-HYDROXYBENZOIC ACID 4-PENTYLPHENYL ESTER.cml