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
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
-2.7951 -0.3087 -0.1579 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8044 0.4952 0.0565 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3900 0.2082 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4919 1.2699 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8400 1.0333 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9200 2.3705 -0.5010 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.3443 -0.2294 0.0172 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4875 -1.2935 0.2531 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1052 -1.0350 0.2562 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8909 -2.4255 0.5960 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.7671 -1.3587 -0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8294 0.0848 -0.0996 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0966 1.5565 0.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0826 2.2774 -0.3766 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4174 -0.3769 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8846 -2.2682 0.4244 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