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
    2.2084    1.5155    0.0612 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5765    0.0902    0.8815 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3892   -0.3758    0.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4336    0.2488   -0.4736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6242   -0.2094   -0.8097 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2084   -0.3443    1.6324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0160   -1.2477    1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0604    1.1319   -0.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2104    0.2750   -1.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0379   -1.0840   -0.3221 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