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
   -2.7252   -0.4759    0.1292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8321    0.4949    0.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4192    0.2403    0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163   -1.0138   -0.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908   -1.2385   -0.1315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1431   -2.8599   -0.2328 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.3147   -0.1393   -0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7668    1.1233   -0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    1.3615    0.0323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2482    2.9886    0.1347 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8036   -0.2631    0.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3834   -1.4861    0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2139    1.5146    0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4794   -1.9125   -0.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3883   -0.3022   -0.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4639    1.9680   -0.0546 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