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
   -0.0710   -0.6232    2.1415 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4755   -0.2873    0.4544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6763   -0.5586   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4804    0.2928   -0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6849    0.5625    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0363    0.6055   -2.1200 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4423   -0.9978    0.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9233   -0.3528   -1.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9459    0.3643    1.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410    0.9947   -0.6173 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