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
   -2.6573    0.6927   -0.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8707   -0.2586    0.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4201   -0.1732    0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2113    0.9101   -0.4723 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6094    0.9536   -0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4341    2.3187   -1.2564 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2996   -0.1157   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6911   -1.1916    0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3274   -1.2345    0.6234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5092   -2.5883    1.3406 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.7395    0.6055   -0.2054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3167    1.5960   -0.7529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3330   -1.1258    0.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3351    1.7505   -0.8876 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3803   -0.0951   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2283   -2.0443    0.9851 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