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
-2.6793 0.6927 0.3237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8602 -0.1949 -0.1560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4091 -0.1038 -0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3294 1.0465 -0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4695 2.6073 -0.2039 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.7296 1.0185 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4131 -0.1713 0.0513 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6952 -1.3289 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3280 -1.2987 -0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6017 -2.8060 -0.0794 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 1.5767 0.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7576 0.5504 0.2472 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3012 -1.1065 -0.6479 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2314 1.9772 0.0067 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4988 -0.1738 0.1137 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2088 -2.2852 0.0727 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