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
1.7645 -0.3065 0.1491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7333 0.3950 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5488 -0.0311 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6583 -0.3999 0.2915 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3711 1.8281 -0.7455 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.5244 -1.1182 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7879 -0.1938 0.0356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1214 1.1223 -1.0579 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7203 -1.2666 0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6330 -0.0293 -0.0655 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