2-(chloromethyl)prop-2-enenitrile

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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
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
1
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
101.0032268 g/mol
Monoisotopic Mass
101.0032268 g/mol
Topological Polar Surface Area
23.8Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
97.4
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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