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
-1.6664 0.1312 1.0074 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5100 -0.0685 0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7763 -0.2907 0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4220 0.6719 -0.5751 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6568 -1.8082 0.1622 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3094 -0.5860 1.5023 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1837 1.1271 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6109 -1.4300 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0301 1.6900 -0.7286 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3952 0.5632 -1.0677 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