Monomers

2,3-Dichloro-1,3-butadiene

Identifiers

IUPAC name
2,3-dichlorobuta-1,3-diene
InchI
InChI=1S/C4H4Cl2/c1-3(5)4(2)6/h1-2H2
InchI Key
LIFLRQVHKGGNSG-UHFFFAOYSA-N
SMILES
ClC(=C)C(=C)Cl
Canonical SMILES
C=C(C(=C)Cl)Cl
Isomeric SMILES
C=C(C(=C)Cl)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H4Cl2
Heavy Atom Count
6
Molecular Weight
122.982
Exact Molecular Weight
121.969
Valence Electrons
34
Radical Electrons
0
tPSA
0.0
MolLogP
2.4914
H Bond Acceptors
0
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

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.6703    1.5657    1.3577 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.6452    0.2741    0.1821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7761   -0.1445   -0.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6563   -0.2811   -0.1873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7844    0.1614    0.3351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6349   -1.5711   -1.3664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7162    0.2781   -0.0323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7786   -0.9365   -1.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6986   -0.3082    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8124    0.9621    1.0685 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  2  3
  4  6  1  0
  3  7  1  0
  3  8  1  0
  5  9  1  0
  5 10  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers