BRN 2776128

methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate

CAS: 739-52-6

Molecular Formula	`C13H13I3N2O4`
Molecular Weight	641.97 g/mol
LogP	2.0
Topological Polar Surface Area	84.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	4
Rotatable Bonds	5
Exact Mass	641.8009
Heavy Atoms	22
Complexity	449.0

Chemical Identifiers

CAS Number	739-52-6
SMILES	`CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC)I`
InChIKey	`QFMJCLURWFGWEE-UHFFFAOYSA-N`

📖 Product Overview

BRN 2776128 (CAS: 739-52-6) is a chemical compound with molecular formula C13H13I3N2O4 and molecular weight 641.97 g/mol. Its IUPAC systematic name is methyl 3-acetamido-5-(acetamidomethyl)-2,4,6-triiodobenzoate. LogP 2.0 Topological Polar Surface Area 84.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 4 Rotatable Bonds 5 Exact Mass 641.8009 Heavy Atoms 22 Complexity 449.0 InChI Key: QFMJCLURWFGWEE-UHFFFAOYSA-N. SMILES: CC(=O)NCC1=C(C(=C(C(=C1I)NC(=O)C)I)C(=O)OC)I.

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