521294-08-6
BENZOIC ACID, 4-IODO-, 4-HYDROXYBUTYL ESTER
Name
BENZOIC ACID, 4-IODO-, 4-HYDROXYBUTYL ESTER
Formula
C11 H13 I O3
MolWeight
320.121
1Identification
【Name】
BENZOIC ACID, 4-IODO-, 4-HYDROXYBUTYL ESTER
【CAS】
【MDL】
MFCD20257365
【English Synonyms】
【Formula】
C11 H13 I O3
【MolWeight】
320.121
【Inchi】
InChI=1S/C11H13IO3/c12-10-5-3-9(4-6-10)11(14)15-8-2-1-7-13/h3-6,13H,1-2,7-8H2
【InChIKey】
InChIKey=IFJLLWCOWOJSHK-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1C(=O)OCCCCO)I
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
BENZOIC ACID, 4-IODO-, 4-HYDROXYBUTYL ESTER.cml
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