4618-45-5
4-(4'-HYDROXY-3'-IODOPHENOXY)-3,5-DIIODO-BENZOIC ACID
Name4-(4'-HYDROXY-3'-IODOPHENOXY)-3,5-DIIODO-BENZOIC ACID
1Identification
【Name】
4-(4'-HYDROXY-3'-IODOPHENOXY)-3,5-DIIODO-BENZOIC ACID
【CAS】
【MDL】
MFCD00127958
【English Synonyms】
【Formula】
C13 H7 I3 O4
【MolWeight】
607.894
【Inchi】
InChI=1S/C13H7I3O4/c14-8-5-7(1-2-11(8)17)20-12-9(15)3-6(13(18)19)4-10(12)16/h1-5,17H,(H,18,19)
【InChIKey】
InChIKey=UFFBAPYAPOWTEI-UHFFFAOYSA-N
【SMILES】
c1cc(c(cc1Oc2c(cc(cc2I)C(=O)O)I)I)O
【MOL File】
4-(4'-HYDROXY-3'-IOD….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4'-HYDROXY-3'-IODOPHENOXY)-3,5-DIIODO-BENZOIC ACID.cml