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
    2.7652    0.0669   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516   -0.7509   -0.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3842   -0.2853   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0369    1.0564    0.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3043    1.4418    0.1869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    3.1430    0.3742 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.2755    0.4676    0.1122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9620   -0.8657   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6402   -1.2368   -0.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1904   -2.9235   -0.2999 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6211    1.1148    0.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7754   -0.3515   -0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9286   -1.8079   -0.2425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8205    1.8064    0.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3281    0.7733    0.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7294   -1.6486   -0.0961 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