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
-1.6669 -0.3863 0.3949 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5764 0.0049 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7177 0.4691 -0.3676 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7094 -0.4314 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1345 2.0175 -0.9747 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7759 -1.4428 0.8038 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6317 0.0877 0.4037 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0982 1.2407 -0.4029 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4974 -1.4000 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6900 -0.1594 -0.5302 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