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
-1.2634 0.3178 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1317 -0.1613 0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2279 0.0836 -0.6555 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3522 -0.3872 -1.1297 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8260 1.0004 -1.6956 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.5277 0.1349 2.2214 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9541 0.8917 0.5952 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5043 -0.7253 1.3924 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0054 -0.9493 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6131 -0.2054 -2.1487 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