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
   -2.7992   -0.1998   -0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7514    0.0830    0.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3785    0.0325    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5236    0.8921    0.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8535    0.8924    0.5770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9806    1.9707    1.4152 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2950    0.0352   -0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4486   -0.8072   -1.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0833   -0.8157   -0.7526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9658   -1.9438   -1.6074 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992   -0.5236   -1.0728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8133   -0.1214    0.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9366    0.4027    1.6812 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1572    1.5572    1.6620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3448    0.0365   -0.6557 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7577   -1.4907   -1.8437 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