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
cid=

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
    2.3469    1.0845   -1.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8232   -0.0436   -0.6620 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4579   -0.1278   -0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819    0.9540   -0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6811    0.8123    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7289    2.2028    0.5987 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1675   -0.4117    0.8721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3352   -1.5049    0.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0597   -1.3569    0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0199   -2.7560    0.1309 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8244    2.0124   -1.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3700    1.0946   -1.4393 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4373   -0.9437   -0.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0492    1.9361   -0.3373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794   -0.4757    1.2557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6967   -2.4764    1.0780 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