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
2.6842 -0.6613 0.1485 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8839 0.1841 -0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4589 0.1494 -0.1921 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1692 -0.7478 0.6449 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5330 -0.7698 0.8661 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2623 -1.9564 1.9580 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3384 0.1376 0.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7365 1.0580 -0.6183 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3825 1.0717 -0.8312 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3457 2.2431 -1.9104 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3556 -1.4283 0.8329 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7797 -0.6373 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2787 0.9202 -1.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4154 -1.4888 1.1720 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4071 0.1365 0.3941 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3732 1.7890 -1.1293 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