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
-1.5193 0.7135 -0.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6873 0.1367 0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6785 -0.1721 -0.1296 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4667 -0.7380 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2447 0.2228 -1.7265 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.1874 0.9663 -1.6120 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5310 0.9340 -0.3238 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0565 -0.1062 1.2363 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1071 -0.9764 1.7115 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4846 -0.9806 0.4942 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