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
   -2.7689   -0.4408    0.1091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9025    0.3511   -0.4611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4798    0.1858   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462    1.0440   -0.8152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7938    0.9112   -0.5837 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3209   -0.0493    0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4234   -0.8948    0.8632 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481   -0.7680    0.6340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0474   -0.1915    0.5256 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5429   -1.2292    0.7761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8445   -0.3053   -0.0998 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2568    1.1429   -1.1425 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450    1.8047   -1.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5207    1.5747   -1.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7787   -1.6746    1.5348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6286   -1.4608    1.1403 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