Iodoethene

CAS: 593-66-8 · C2H3I

2D Structure

Loading 3D structure...

CAS Registry Number

593-66-8

SMILES

C=CI

InChI Key

GHXZPUGJZVBLGC-UHFFFAOYSA-N

InChI

InChI=1S/C2H3I/c1-2-3/h2H,1H2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	153.95 g/mol	CAS Common Chemistry
Density	2.04 g/cm³	CAS Common Chemistry
	2.037 g/cm3 @ 20 °C	CAS Common Chemistry
Boiling Point	56 °C	CAS Common Chemistry
Canonical SMILES	IC=C	CAS Common Chemistry
InChI	InChI=1S/C2H3I/c1-2-3/h2H,1H2	CAS Common Chemistry
InChI Key	InChIKey=GHXZPUGJZVBLGC-UHFFFAOYSA-N	CAS Common Chemistry
Name	Iodoethene	CAS Common Chemistry
Heavy Atom Count	3	RDKit
Hydrogen Bond Acceptors	0	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	0.0 Å²	RDKit
LogP	1.5649	RDKit
	1.6	chempirical lib
Molar Refractivity	24.216999999999995 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	153.927948096 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 153.95 g/mol; density = 2.040 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)