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
2.8035 0.2944 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8130 -0.2869 -0.6042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4255 -0.1099 -0.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4637 -1.2009 -0.3717 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7886 -1.1059 -0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9006 -2.4690 -0.2439 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3402 0.0593 0.4219 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4924 1.1251 0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1276 1.0442 0.2527 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8748 2.4771 0.4317 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.6600 0.9624 0.8094 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8265 0.0947 -0.3887 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0436 -0.9633 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0520 -2.1159 -0.7444 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3950 0.1363 0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8867 2.0583 0.9454 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