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
1.3939 1.0633 0.3942 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6140 0.3016 -0.3443 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5753 -0.3151 0.2216 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3406 -1.0661 -0.5142 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0380 -0.0886 1.8912 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2734 1.5252 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1401 1.2233 1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8354 0.1088 -1.4051 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0814 -1.2227 -1.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2215 -1.5298 -0.1162 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