Monomers

Vinyl vinyl chloride

Identifiers

IUPAC name
1-chlorobuta-1,3-diene
InchI
InChI=1S/C4H5Cl/c1-2-3-4-5/h2-4H,1H2
InchI Key
PCPYTNCQOSFKGG-UHFFFAOYSA-N
SMILES
ClC=CC=C
Canonical SMILES
C=CC=CCl
Isomeric SMILES
C=CC=CCl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5Cl
Heavy Atom Count
5
Molecular Weight
88.537
Exact Molecular Weight
88.008
Valence Electrons
28
Radical Electrons
0
tPSA
0.0
MolLogP
1.9249
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
    2.1840   -0.2100   -1.4499 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7653    0.0112    0.2325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5053    0.0686    0.5738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263   -0.0502   -0.4331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8045    0.0031   -0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5216    0.1019    0.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    0.2053    1.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2324   -0.1857   -1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0838    0.1386    0.9037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5828   -0.0827   -0.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  3  4  1  0
  4  5  2  3
  2  6  1  0
  3  7  1  0
  4  8  1  0
  5  9  1  0
  5 10  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers