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
0.8399 1.4361 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0304 0.4748 0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0612 -0.4967 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9491 -1.4693 -0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1299 -0.3053 -1.7699 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.8923 2.1735 1.3820 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5617 1.5303 -0.1988 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7599 0.3907 1.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9630 -2.1790 -1.2996 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6602 -1.5551 0.2939 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