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
    2.4095    0.4500   -1.4316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9361   -0.0113   -0.3121 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5305   -0.0586    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1369   -0.5682    1.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2160   -0.6225    1.6115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1706   -0.1639    0.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7934    0.3490   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4403    0.3965   -0.8146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8866   -0.2208    1.1739 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.7676    0.8400   -2.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4661    0.4571   -1.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6746   -0.3938    0.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8726   -0.9426    1.9669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5259   -1.0258    2.5722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5598    0.7084   -1.1464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012    0.8064   -1.7779 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