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
   -2.7694   -0.5754   -0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8565    0.2884   -0.5080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4425    0.1832   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4039    1.1628   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7658    1.0785   -0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2617    0.0348    0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -0.9339    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -0.8761    0.5332 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850   -0.0480    0.6995 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8079   -0.4519   -0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4906   -1.4313    0.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2373    1.1444   -1.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0850    2.0149   -1.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4537    1.8329   -0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8230   -1.7440    1.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5845   -1.6792    0.9272 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