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
    0.9178    1.9060   -0.1300 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.2307    0.3176   -0.1029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7154    0.0348    0.7440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7081   -0.6658   -1.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0895   -1.4744   -1.7276 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391    0.8346    1.4149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1916   -0.9527    0.8108 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