Monomers

Chloroprene

Identifiers

IUPAC name
2-chlorobuta-1,3-diene
InchI
InChI=1S/C4H5Cl/c1-3-4(2)5/h3H,1-2H2
InchI Key
YACLQRRMGMJLJV-UHFFFAOYSA-N
SMILES
C=CC(=C)Cl
Canonical SMILES
C=CC(=C)Cl
Isomeric SMILES
C=CC(=C)Cl
Resources

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
   -0.3124    1.5412    0.8106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3858    0.6253    0.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2694   -0.5943   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4278   -1.5257   -0.8317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9669   -0.8345    0.0882 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3544    1.3954    0.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1501    2.4524    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4571    0.8056    0.0238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075   -2.4624   -1.1700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4898   -1.4031   -1.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  3  5  1  0
  1  6  1  0
  1  7  1  0
  2  8  1  0
  4  9  1  0
  4 10  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers