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
-1.7143 0.0079 0.5365 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4901 -0.4530 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5311 0.3067 -0.3219 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7578 -0.1344 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1090 1.8668 -0.9747 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4950 -0.5239 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9724 0.9768 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2508 -1.4200 0.7944 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4668 0.4746 -1.0168 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0578 -1.1014 -0.0939 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