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
-1.7624 -0.2638 0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4876 -0.5837 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5249 0.4353 -0.0936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8146 0.1639 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0116 2.0566 -0.4918 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1126 0.7193 -0.2142 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4951 -1.0297 0.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1594 -1.5911 0.3774 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5426 0.9328 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1234 -0.8396 0.2433 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