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
   -2.7660    0.4239    0.2377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9050   -0.4504   -0.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4876   -0.2451   -0.1186 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4188   -1.2022   -0.6077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7748   -1.0213   -0.5292 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2788    0.1296    0.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4152    1.0760    0.5278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0251    0.8872    0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0224    0.3750    0.1519 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388    1.3315    0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8461    0.2810    0.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2300   -1.3897   -0.6773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0066   -2.0802   -1.0449 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4924   -1.7601   -0.9068 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8393    1.9604    0.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5865    1.6843    0.8516 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