Monomers
2,5-Dichlorostyrene
Identifiers
IUPAC name
1,4-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-5-7(9)3-4-8(6)10/h2-5H,1H2
InchI Key
IZMZREOTRMMCCB-UHFFFAOYSA-N
SMILES
C=Cc1cc(Cl)ccc1Cl
Canonical SMILES
C=CC1=C(C=CC(=C1)Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC(=C1)Cl)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
-2.8192 -0.0877 -0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7339 -0.7693 0.0861 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3847 -0.2686 0.0505 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6600 -1.1562 -0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9603 -0.7326 -0.3111 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2256 -1.8955 -0.7402 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2948 0.5750 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3240 1.4591 0.3174 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0040 1.0060 0.3392 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2306 2.1886 0.8178 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8683 0.9621 -0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8166 -0.5919 -0.0726 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8653 -1.8450 0.3237 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3597 -2.1761 -0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3518 0.8416 -0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5466 2.4905 0.5589 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
5 6 1 0
5 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
4 14 1 0
7 15 1 0
8 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers