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
1.7848 0.2317 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5067 0.5525 0.1327 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5406 -0.4271 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8097 -0.1240 0.2061 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0952 -2.0337 0.8798 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0950 -0.7536 0.6170 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5462 0.9700 0.1219 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2202 1.5622 -0.1884 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5953 -0.8382 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 0.8601 -0.1083 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