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
1.5657 0.0431 -1.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -0.5147 -0.3106 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4532 0.1614 0.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3921 0.7696 0.7676 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1567 -1.6622 1.1792 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3686 -0.5485 -1.4213 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4860 1.1414 -1.2066 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7325 -1.6227 -0.2988 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5217 1.8820 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2195 0.3505 1.3722 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