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
   -2.2659   -1.0261   -1.1787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7588   -0.8771    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4710   -0.2458    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0204   -0.1131    1.5544 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2278    0.4712    1.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910    0.9508    0.8201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5743    0.8566   -0.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3378    0.2530   -0.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5523    1.7122    1.1467 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869   -0.7020   -2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2354   -1.5039   -1.3271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3231   -1.2388    0.8721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5908   -0.4950    2.3621 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6074    0.5737    2.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    1.2116   -1.3301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0043    0.1726   -1.7715 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