4-[bis(2-iodoethyl)amino]benzoic acid

CAS: 2045-13-8

Molecular Formula	`C11H13I2NO2`
Molecular Weight	445.03 g/mol
LogP	3.8
Topological Polar Surface Area	40.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	3
Rotatable Bonds	6
Exact Mass	444.90356
Heavy Atoms	16
Complexity	212.0

Chemical Identifiers

CAS Number	2045-13-8
SMILES	`C1=CC(=CC=C1C(=O)O)N(CCI)CCI`
InChIKey	`HOGVYLWCAKYXPH-UHFFFAOYSA-N`

📖 Product Overview

4-[bis(2-iodoethyl)amino]benzoic acid (CAS: 2045-13-8) is a chemical compound with molecular formula C11H13I2NO2 and molecular weight 445.03 g/mol. Its IUPAC systematic name is 4-[bis(2-iodoethyl)amino]benzoic acid. LogP 3.8 Topological Polar Surface Area 40.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 3 Rotatable Bonds 6 Exact Mass 444.90356 Heavy Atoms 16 Complexity 212.0 InChI Key: HOGVYLWCAKYXPH-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(=O)O)N(CCI)CCI.

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