Monomers

4-Chlorostyrene

Identifiers

IUPAC name
1-chloro-4-ethenylbenzene
InchI
InChI=1S/C8H7Cl/c1-2-7-3-5-8(9)6-4-7/h2-6H,1H2
InchI Key
KTZVZZJJVJQZHV-UHFFFAOYSA-N
SMILES
C=Cc1ccc(cc1)Cl
Canonical SMILES
C=CC1=CC=C(C=C1)Cl
Isomeric SMILES
C=CC1=CC=C(C=C1)Cl
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C8H7Cl
Heavy Atom Count
9
Molecular Weight
138.597
Exact Molecular Weight
138.0236
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.983
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
    2.8337    0.2581    0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8691   -0.5914    0.2374 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4503   -0.2591    0.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0082    0.9923   -0.2806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586    1.2446   -0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3111    0.2780   -0.1652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8751   -0.9759    0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5251   -1.2253    0.3273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0329    0.6275   -0.3286 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8814   -0.0559    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6667    1.2842   -0.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1281   -1.6123    0.5362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7224    1.7840   -0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6918    2.2422   -0.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6010   -1.7687    0.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1643   -2.2224    0.6231 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  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  7 15  1  0
  8 16  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers