1225-20-3
SODIUM 3-ACETAMIDO-2,4,6-TRIIODO-5-(METHYLCARBAMOYL)BENZOATE
NameSODIUM 3-ACETAMIDO-2,4,6-TRIIODO-5-(METHYLCARBAMOYL)BENZOATE
FormulaC11 H8 I3 N2 O4 . Na
1Identification
【Name】
SODIUM 3-ACETAMIDO-2,4,6-TRIIODO-5-(METHYLCARBAMOYL)BENZOATE
【CAS】
【MDL】
MFCD01717604
【English Synonyms】
【Formula】
C11 H8 I3 N2 O4 . Na
【MolWeight】
635.884
【Inchi】
InChI=1S/C11H9I3N2O4.Na/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;/h1-2H3,(H,15,18)(H,16,17)(H,19,20);/q;+1/p-1
【InChIKey】
InChIKey=WCIMWHNSWLLELS-UHFFFAOYSA-M
【SMILES】
CC(=O)Nc1c(c(c(c(c1I)C(=O)[O-])I)C(=O)NC)I.[Na+]
【MOL File】
SODIUM 3-ACETAMIDO-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
SODIUM 3-ACETAMIDO-2,4,6-TRIIODO-5-(METHYLCARBAMOYL)BENZOATE.cml