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
1.8291 0.3043 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7341 -0.4384 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5391 0.0404 0.0184 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6964 0.4757 -0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3126 -1.7810 0.8896 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.7960 -0.0806 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6222 1.2460 -0.6818 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0331 -1.3985 0.5818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7880 1.5129 -0.5775 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6785 0.1191 0.1265 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