Monomers
Vinyl vinyl chloride
Identifiers
IUPAC name
1-chlorobuta-1,3-diene
InchI
InChI=1S/C4H5Cl/c1-2-3-4-5/h2-4H,1H2
InchI Key
PCPYTNCQOSFKGG-UHFFFAOYSA-N
SMILES
ClC=CC=C
Canonical SMILES
C=CC=CCl
Isomeric SMILES
C=CC=CCl
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
-1.7658 0.1719 -2.0748 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.7694 -0.0892 -0.3302 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 -0.1063 0.3692 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6575 0.0872 -0.2387 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7550 0.0636 0.4941 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7419 -0.2325 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7209 -0.2701 1.4287 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7633 0.2566 -1.3164 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7738 -0.0927 1.5490 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7008 0.2115 0.0003 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 2 3
2 6 1 0
3 7 1 0
4 8 1 0
5 9 1 0
5 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers