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
-2.7759 0.3840 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6558 0.8135 0.5073 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3750 0.2333 0.1899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7521 1.0839 0.2104 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0196 0.6387 -0.0517 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3815 1.7544 -0.0092 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.2613 -0.6827 -0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1803 -1.5262 -0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1204 -1.0757 -0.1094 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4440 -2.2318 -0.1178 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.8825 -0.4326 -0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7296 0.8705 0.2956 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7226 1.6670 1.2039 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5589 2.1282 0.4488 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2601 -1.0348 -0.5604 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2921 -2.5898 -0.6090 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