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
   -2.4014    0.2536   -0.4580 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7173   -0.2773   -0.3272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5302   -1.5017   -0.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3496    0.3474    0.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3165    0.9135    0.7850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8617    1.9645    0.9229 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4493   -1.9193   -0.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3316   -2.0097   -1.3839 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3971    1.8525    1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3298    0.3766    0.7404 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