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
-1.7187 -0.5505 0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5367 -0.3163 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5544 0.2912 0.1542 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7051 0.5059 0.7356 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3307 0.7382 -1.5096 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.4861 -0.9961 0.9039 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8650 -0.2806 -0.6854 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3804 -0.5921 1.9319 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5350 0.9618 0.1991 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8617 0.2384 1.7561 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