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
1.0948 1.3602 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3981 0.5426 0.1492 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4081 -0.5448 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0985 -1.3490 0.4103 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4174 -0.7380 -2.1006 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.0768 1.2229 -1.6673 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6961 2.1684 -0.2190 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4232 0.6887 1.2381 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0602 -1.1881 1.4804 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7049 -2.1630 0.0618 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