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
1.5033 0.5676 -0.7559 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5681 -0.2855 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5640 0.1550 0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4973 -0.6863 0.7263 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7243 1.8227 0.8251 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3831 0.2600 -1.3390 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4822 1.6213 -0.5119 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6545 -1.3182 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4483 -1.7470 0.4643 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3575 -0.3896 1.2955 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