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
-1.5856 -0.7045 -0.4328 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6815 -0.0804 0.3081 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6657 0.1232 -0.2017 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5262 0.7430 0.5608 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1192 -0.4557 -1.8112 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3194 -1.0624 -1.4179 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5762 -0.8452 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9210 0.2842 1.2888 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2504 1.0883 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5223 0.9095 0.2193 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