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
1.8016 -0.0155 -0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5778 0.4571 -0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6041 -0.3708 -0.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8049 0.1493 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4807 -2.1020 -0.2643 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6484 0.6507 -0.1718 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0234 -1.0728 -0.2936 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4610 1.5211 0.0096 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7130 -0.4368 -0.0108 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9093 1.2198 0.0966 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