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
1.7524 0.1108 0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6161 0.3539 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6253 -0.2612 0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7782 -0.0328 -0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5681 -1.3338 1.5345 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.8155 -0.5492 1.1983 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6771 0.5689 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5821 1.0167 -1.1283 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6698 -0.5169 -0.0825 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8019 0.6438 -1.3145 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