Compound C14H14I3N3O5

2-[[2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoyl]amino]acetic acid

CAS: 67227-37-6

Molecular Formula	`C14H14I3N3O5`
Molecular Weight	684.99 g/mol
LogP	1.7
Topological Polar Surface Area	125.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	684.8068
Heavy Atoms	25
Complexity	548.0

Chemical Identifiers

CAS Number	67227-37-6
SMILES	`CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(=O)O)I)C(=O)NC)I`
InChIKey	`CISIBGUGYWFWDQ-UHFFFAOYSA-N`

📖 Product Overview

Compound C14H14I3N3O5 (CAS: 67227-37-6) is a chemical compound with molecular formula C14H14I3N3O5 and molecular weight 684.99 g/mol. Its IUPAC systematic name is 2-[[2,4,6-triiodo-3-(methylcarbamoyl)-5-(propanoylamino)benzoyl]amino]acetic acid. LogP 1.7 Topological Polar Surface Area 125.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 6 Exact Mass 684.8068 Heavy Atoms 25 Complexity 548.0 InChI Key: CISIBGUGYWFWDQ-UHFFFAOYSA-N. SMILES: CCC(=O)NC1=C(C(=C(C(=C1I)C(=O)NCC(=O)O)I)C(=O)NC)I.

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