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
1.7743 0.0276 -0.2626 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5673 -0.4499 -0.4392 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5711 0.3231 -0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8150 -0.1215 -0.1667 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3114 1.8786 0.7398 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6179 -0.5618 -0.5903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9938 0.9805 0.1926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4034 -1.4068 -0.8989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6732 0.4232 0.1397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9860 -1.0930 -0.6334 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