Monomers

2-Chloroacrylonitrile

Identifiers

IUPAC name
2-chloroprop-2-enenitrile
InchI
InChI=1S/C3H2ClN/c1-3(4)2-5/h1H2
InchI Key
OYUNTGBISCIYPW-UHFFFAOYSA-N
SMILES
ClC(=C)C#N
Canonical SMILES
C=C(C#N)Cl
Isomeric SMILES
C=C(C#N)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C3H2ClN
Heavy Atom Count
5
Molecular Weight
87.509
Exact Molecular Weight
86.9876
Valence Electrons
26
Radical Electrons
0
tPSA
23.79
MolLogP
1.2625
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

  7  6  0  0  0  0  0  0  0  0999 V2000
    1.3810    0.3771   -1.5756 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2047    0.1437   -0.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3959   -0.7627    0.5892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9801    0.9350   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9474    1.5674   -0.3004 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3454   -0.8986    1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2913   -1.3619    0.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  3  0
  3  6  1  0
  3  7  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers