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
   -2.7781    0.1834   -0.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7929   -0.6253    0.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3921   -0.2455    0.0649 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5783   -1.2054   -0.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9230   -0.9398   -0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1074   -2.1589   -0.7431 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3009    0.3517   -0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3611    1.3008    0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0109    1.0209    0.3614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    2.3380    0.8408 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8086   -0.2132   -0.0899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6651    1.1964   -0.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0500   -1.6670    0.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2438   -2.2234   -0.5056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3635    0.5789   -0.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866    2.3085    0.5444 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