Monomers
2,6-Dichlorostyrene
Identifiers
IUPAC name
1,3-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InchI Key
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C=Cc1c(Cl)cccc1Cl
Canonical SMILES
C=CC1=C(C=CC=C1Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC=C1Cl)Cl
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C8H6Cl2
Heavy Atom Count
10
Molecular Weight
173.042
Exact Molecular Weight
171.9847
Valence Electrons
52
Radical Electrons
0
tPSA
0.0
MolLogP
3.6364
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1
MOL File
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
2.7753 -0.2543 -0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7894 0.5882 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3932 0.2206 0.0157 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5552 1.1416 -0.4850 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0374 2.6634 -1.1128 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-1.9019 0.8865 -0.4951 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4046 -0.3001 -0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5143 -1.2083 0.4809 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1385 -0.9486 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8720 -2.1757 1.1790 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.8310 0.1118 -0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7365 -1.3295 -0.0281 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0653 1.6592 0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6168 1.6004 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4611 -0.5132 -0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9077 -2.1420 0.8634 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
9 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers