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
1.3734 -0.2859 -1.1313 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3459 -0.5544 -0.3501 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3754 0.4758 0.3629 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3862 0.1236 1.1196 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0308 2.1732 0.2689 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6697 0.7448 -1.2279 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9075 -1.0580 -1.6605 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0389 -1.5806 -0.2443 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6812 -0.9237 1.2129 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9235 0.8852 1.6498 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