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
-1.4043 1.0148 -0.2987 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1361 0.6827 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2399 -0.5880 0.2406 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4940 -0.9532 0.2600 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9616 -1.6658 0.8748 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.1862 0.3632 0.0912 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7056 1.9528 -0.6922 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 1.3683 -0.6946 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2358 -0.2689 -0.1402 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8374 -1.9060 0.6553 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