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
1.7710 0.2307 -0.0343 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6454 -0.4181 0.1348 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6146 0.2732 -0.0848 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7708 -0.3503 0.0764 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6181 1.9673 -0.5734 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 -0.2948 0.1320 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7877 1.2596 -0.3307 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6131 -1.4539 0.4329 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6979 0.1741 -0.0897 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8057 -1.3878 0.3751 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