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
2.4478 -1.2787 -0.1811 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9007 -0.0878 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4736 0.0908 -0.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3973 -0.9587 0.1367 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7586 -0.6958 0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8182 -2.0610 0.5333 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2720 0.5811 0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4082 1.6379 0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0685 1.3836 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0385 2.7407 -0.3787 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.5402 -1.3626 -0.3067 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9192 -2.1918 -0.0329 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5228 0.7834 -0.3795 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0415 -1.9972 0.1888 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3370 0.7505 0.3380 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7416 2.6654 -0.0327 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