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
1.8092 0.0774 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6166 -0.2115 0.5107 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6137 0.1846 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7671 -0.1526 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6077 1.1013 -1.6316 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6850 -0.2382 0.5874 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9014 0.6402 -0.8455 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5472 -0.7913 1.4469 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7169 0.1174 -0.0751 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8539 -0.7272 1.3043 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