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
-1.6563 -0.5784 -0.2982 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7183 0.2074 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6733 -0.0800 -0.0926 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6291 0.6814 0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0732 -1.4748 -1.0619 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7116 -0.3996 -0.1168 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3738 -1.4303 -0.8924 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9654 1.0816 0.7889 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6492 0.4528 0.1565 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4006 1.5399 0.9653 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