Monomers

2,6-Dichlorostyrene

Identifiers

IUPAC name
1,3-dichloro-2-ethenylbenzene
InchI
InChI=1S/C8H6Cl2/c1-2-6-7(9)4-3-5-8(6)10/h2-5H,1H2
InchI Key
YJCVRMIJBXTMNR-UHFFFAOYSA-N
SMILES
C=Cc1c(Cl)cccc1Cl
Canonical SMILES
C=CC1=C(C=CC=C1Cl)Cl
Isomeric SMILES
C=CC1=C(C=CC=C1Cl)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
   -2.7760    0.1873   -0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6875    0.7387    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3590    0.2233    0.0822 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7053    1.1432    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2886    2.8507    0.0273 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0120    0.7402    0.0116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3620   -0.5891    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3307   -1.4868    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0207   -1.1023    0.0931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639   -2.3240    0.1840 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7629   -0.7631   -0.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7514    0.6552   -0.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8209    1.7434    0.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8287    1.4676   -0.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3858   -0.9376   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5292   -2.5467    0.0716 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
  4  6  1  0
  6  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
  6 14  1  0
  7 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers