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
-1.7219 -0.3837 -0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4683 -0.4637 0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5194 0.3805 -0.2693 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7690 0.2939 0.1307 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0332 1.4856 -1.5450 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4973 -1.0018 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0306 0.2909 -0.8069 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1661 -1.1373 1.1480 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0557 -0.3862 0.9129 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5069 0.9219 -0.3432 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