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
-1.6506 -0.6762 -0.1308 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4275 -0.5379 0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4638 0.4598 -0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6898 0.6004 0.2274 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0194 1.5127 -1.5485 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3272 -1.4120 0.2822 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9779 -0.0454 -0.9349 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1265 -1.1850 1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9914 -0.0482 1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3841 1.3319 -0.1724 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