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
1.6484 -0.3396 0.4243 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3548 -0.4267 0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3941 0.3830 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6880 0.2455 -0.8292 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3999 1.5800 -1.6825 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2225 0.3669 -0.1373 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1367 -0.9707 1.1331 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2073 -1.1649 0.8353 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1853 -0.4941 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2876 0.8205 -1.5070 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