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
-0.5354 -0.9989 -1.3718 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6267 -0.4010 -0.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4988 0.3819 0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4469 0.9984 1.4457 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9265 0.4975 -0.7184 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.3706 -1.5816 -1.7303 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3309 -0.9395 -1.9951 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5300 -0.4917 0.3942 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4193 0.9514 2.0913 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2788 1.5835 1.8114 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