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
-1.7727 -0.1207 0.1154 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6092 0.2213 -0.3988 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6125 -0.1425 0.2675 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7836 0.1822 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5279 -1.0360 1.7539 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6934 0.1499 -0.3807 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8668 -0.6761 1.0375 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5650 0.7728 -1.3167 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7035 -0.0879 0.2778 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8796 0.7370 -1.1384 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