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
1.7803 -0.0692 0.2828 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5948 -0.3834 -0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5907 0.2978 0.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7992 -0.0394 -0.1981 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4319 1.5690 1.4800 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8555 0.7162 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6807 -0.5807 -0.0612 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5034 -1.1613 -0.9060 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6931 0.4638 0.1392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8998 -0.8127 -0.9258 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