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
-0.3124 1.5412 0.8106 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3858 0.6253 0.2024 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2694 -0.5943 -0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4278 -1.5257 -0.8317 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9669 -0.8345 0.0882 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3544 1.3954 0.9983 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1501 2.4524 1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4571 0.8056 0.0238 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0075 -2.4624 -1.1700 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4898 -1.4031 -1.0354 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