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
1.4217 0.9633 0.4160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7010 -0.1138 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6390 -0.0242 -0.2563 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3799 -1.1033 -0.3753 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2697 1.5421 -0.7790 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3991 0.9302 0.8200 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0568 1.9472 0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1010 -1.0576 0.6281 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0291 -2.0685 -0.0686 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3617 -1.0153 -0.7903 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