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
    1.4128    2.4666   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1736    1.4547    0.6032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3313    0.3145    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1325   -0.7209    1.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6712   -1.7892    0.8716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144   -1.8913   -0.3429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1286   -0.8725   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3081    0.2160   -0.9187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3200   -3.2813   -0.6777 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9816    2.5294   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0504    3.2826    0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6656    1.4863    1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6267   -0.6616    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8274   -2.6086    1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6161   -0.9183   -2.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1887    0.9936   -1.6577 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