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
2.6527 -0.8224 0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9212 0.1479 -0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4759 0.1292 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2455 -0.8619 0.5092 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6367 -0.7917 0.5911 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5020 -2.0747 1.3926 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3583 0.2522 0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6439 1.2477 -0.5621 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2825 1.1875 -0.6471 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6089 2.4628 -1.4466 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7540 -0.8173 0.1340 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2194 -1.6664 0.7484 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4117 0.9556 -0.7513 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2835 -1.7105 0.9430 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4458 0.2858 0.1396 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2126 2.0761 -0.9811 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