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
    2.6839   -0.6168   -0.5412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -0.0859    0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607    0.0145    0.1666 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2546    1.0198    0.8422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5913    1.1961    0.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549    2.4579    1.6372 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3129    0.3134   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6957   -0.7016   -0.7024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3187   -0.8193   -0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3823   -2.1647   -1.4813 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4893   -1.0609   -1.4897 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7661   -0.6280   -0.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2931    0.3291    1.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448    1.6857    1.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3896    0.4342   -0.0695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2924   -1.3735   -1.3107 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