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
-1.7322 -0.4577 0.2168 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5704 0.1146 0.4883 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5773 -0.0389 -0.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7343 0.5204 -0.1194 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4559 -1.0010 -1.8194 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.8355 -1.0592 -0.6726 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5785 -0.3425 0.8551 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4752 0.7173 1.3839 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8169 1.1153 0.7709 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6074 0.4316 -0.7307 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