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
    1.8016   -0.0155   -0.1899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5778    0.4571   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6041   -0.3708   -0.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049    0.1493   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4807   -2.1020   -0.2643 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6484    0.6507   -0.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0234   -1.0728   -0.2936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4610    1.5211    0.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7130   -0.4368   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9093    1.2198    0.0966 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