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
    0.1296    2.1502   -0.4689 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5396    0.4973   -0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959    0.1453    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408   -0.4876    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7969   -0.1397   -0.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1865   -2.1478    0.4632 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6170    0.8386    0.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0313   -0.8781    0.3791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5786   -0.8530   -0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0105    0.8749   -0.3765 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