2-(chloromethyl)prop-2-enenitrile

Inquiry

Molecular Formula:

C4H4ClN

Molecular Weight:

101.534

CAS Number:

7659-44-1

Catalog Number:

7659-44-1

Product Information

Molecular Formula:

C4H4ClN

Molecular Weight:

101.534

Description

Applications: 2-(chloromethyl)prop-2-enenitrile is a useful research chemical.

Synonyms

ACRYLONITRILE, 2-(CHLOROMETHYL)-; 2-(Chloromethyl)acrylonitrile; 2-Propenenitrile, 2-(chloromethyl)-; 2-(Chloromethyl)-2-propenenitrile; alpha-(Chloromethyl)acrylonitrile; Acrylonitrile, alpha-(chloromethyl)-; 2-(chloromethyl)-acrylonitrile; Acrylonitrile, .alpha.-(chloromethyl)-

IUPAC Name

2-(chloromethyl)prop-2-enenitrile

Canonical SMILES

C=C(CCl)C#N

InChI

InChI=1S/C4H4ClN/c1-4(2-5)3-6/h1-2H2

InChI Key

QIBPJPNDSZRXRO-UHFFFAOYSA-N

Computed Properties

XLogP3

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

101.0032268 g/mol

Monoisotopic Mass

101.0032268 g/mol

Topological Polar Surface Area

23.8Å²

Heavy Atom Count

Formal Charge

Complexity

97.4

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

Calculate

2-(chloromethyl)prop-2-enenitrile

Product Information

Computed Properties

Related Products