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
2.6225 -0.0295 0.9643 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9308 0.2002 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4827 0.0511 -0.1118 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2810 0.9232 -0.9157 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6408 0.8451 -1.0141 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5179 1.9675 -2.0360 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.3421 -0.1075 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6262 -0.9643 0.4653 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2347 -0.8916 0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5728 -2.0760 1.5723 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.1582 -0.3352 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7168 0.0978 0.9135 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4606 0.5161 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2822 1.6790 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4267 -0.1498 -0.4137 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1572 -1.7263 1.0245 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