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
   -2.5895   -1.0075    0.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8671    0.0278   -0.3150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4415    0.1318   -0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3051   -0.8799    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6791   -0.7903    0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6222   -2.0695    1.3410 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2861    0.3746    0.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5420    1.4054   -0.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1845    1.3027   -0.5466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7433    2.6058   -1.2737 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.6656   -1.0657   -0.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1301   -1.8500    0.4734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4138    0.8577   -0.7708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1542   -1.8142    0.7779 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3577    0.4593    0.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0283    2.3121   -0.6945 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