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
   -2.7330    0.6805    0.3941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9471   -0.2994    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5124   -0.1919   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1693    0.9501    0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5703    0.9947    0.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -0.0815   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6341   -1.2243   -0.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2627   -1.2852   -0.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0680    0.0192   -0.2370 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8141    0.5851    0.4265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3024    1.6146    0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4213   -1.2425   -0.2761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.8497    0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1155    1.9015    0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2237   -2.0823   -0.8388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2853   -2.1883   -0.7246 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