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
-1.7872 0.0843 0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5579 0.5108 0.1944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5713 -0.4047 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7952 0.0517 -0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3419 -2.1161 0.4898 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.6314 0.7494 0.3933 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9576 -0.9691 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4032 1.5622 0.0178 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9641 1.1091 -0.1819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6648 -0.5776 -0.0062 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