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
-1.6867 0.4792 0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6332 0.1555 -0.4110 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6103 -0.1555 0.2758 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6606 -0.4780 -0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6871 -0.0951 2.0220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.6234 0.5118 1.3655 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6039 0.7091 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6864 0.1190 -1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5852 -0.7094 0.0834 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6904 -0.5366 -1.5022 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