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

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
    2.7723    0.0168    0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7434   -0.5791   -0.4367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3841   -0.2036   -0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5944   -1.2199   -0.1390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9018   -0.9247    0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0732   -2.2426    0.1122 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3029    0.3808    0.2654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    1.3737    0.2287 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0041    1.0956    0.0077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1336    2.4495   -0.0664 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8031   -0.3171   -0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470    0.8227    0.7850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9846   -1.4191   -1.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2472   -2.2536   -0.2922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3466    0.6013    0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6454    2.4193    0.3754 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