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
1.7214 0.4075 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6394 -0.3109 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6323 0.1845 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7280 -0.4893 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7062 1.6702 -1.0834 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.6765 1.3304 -0.5692 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7004 0.0576 0.3202 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7440 -1.2435 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7184 -0.1791 -0.2505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6968 -1.4273 0.6240 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