Compound C12H11I3N2O4

3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid

CAS: 2281-07-4

Molecular Formula	`C12H11I3N2O4`
Molecular Weight	627.94 g/mol
LogP	0.9
Topological Polar Surface Area	95.5 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	4
Rotatable Bonds	4
Exact Mass	627.7853
Heavy Atoms	21
Complexity	435.0

Chemical Identifiers

CAS Number	2281-07-4
SMILES	`CCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I`
InChIKey	`MEEIUFXPBUXITI-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H11I3N2O4 (CAS: 2281-07-4) is a chemical compound with molecular formula C12H11I3N2O4 and molecular weight 627.94 g/mol. Its IUPAC systematic name is 3-acetamido-5-(ethylcarbamoyl)-2,4,6-triiodobenzoic acid. LogP 0.9 Topological Polar Surface Area 95.5 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 4 Rotatable Bonds 4 Exact Mass 627.7853 Heavy Atoms 21 Complexity 435.0 InChI Key: MEEIUFXPBUXITI-UHFFFAOYSA-N. SMILES: CCNC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)O)I.

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