Compound C13H14I3NO4

2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid

CAS: 13072-73-6

Molecular Formula	`C13H14I3NO4`
Molecular Weight	628.97 g/mol
LogP	3.2
Topological Polar Surface Area	101.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	628.8057
Heavy Atoms	21
Complexity	382.0

Chemical Identifiers

CAS Number	13072-73-6
SMILES	`C1=C(C(=C(C(=C1I)N)I)CC(CCCC(=O)O)C(=O)O)I`
InChIKey	`NCIDMBOLXVEYDB-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H14I3NO4 (CAS: 13072-73-6) is a chemical compound with molecular formula C13H14I3NO4 and molecular weight 628.97 g/mol. Its IUPAC systematic name is 2-[(3-amino-2,4,6-triiodophenyl)methyl]hexanedioic acid. LogP 3.2 Topological Polar Surface Area 101.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 628.8057 Heavy Atoms 21 Complexity 382.0 InChI Key: NCIDMBOLXVEYDB-UHFFFAOYSA-N. SMILES: C1=C(C(=C(C(=C1I)N)I)CC(CCCC(=O)O)C(=O)O)I.

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