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
1.7310 -0.4363 -0.1966 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4363 -0.4611 -0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4919 0.3691 0.3218 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7907 0.3662 0.1109 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1345 1.4219 1.5648 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3791 -1.0697 -0.7803 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1994 0.1843 0.5519 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0466 -1.1071 -1.1941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2283 -0.2742 -0.6542 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4159 1.0069 0.7063 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