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
-1.7287 0.2590 -0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6607 -0.2206 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6469 0.1355 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7145 -0.3441 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7886 1.1922 -1.6079 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7203 -0.0050 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5933 0.8979 -1.1367 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7403 -0.8792 1.1911 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6002 -0.9758 1.2399 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6932 -0.0599 -0.0120 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