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
   -2.7393   -0.4908    0.4323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9168    0.2955   -0.2194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4867    0.1622   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1265   -0.7960    0.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033   -0.8597    0.6848 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3045    0.0041   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    0.9599   -0.8030 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3000    1.0475   -0.8589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0559   -0.0711    0.0117 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3846   -1.2728    1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8303   -0.3914    0.3637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3229    1.0911   -0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4454   -1.5113    1.2392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0134   -1.6137    1.2947 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3138    1.6327   -1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1555    1.8138   -1.4794 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