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

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
    2.7795   -0.5691    0.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9258    0.3862    0.0523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4853    0.2277   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3398    1.3100   -0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7121    1.1823   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3226   -0.0420   -0.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5158   -1.1333    0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1287   -0.9847    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0781   -0.1953   -0.2183 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8352   -0.3641    0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4744   -1.5876    0.4275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3238    1.4061   -0.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1327    2.2952   -0.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3623    2.0381   -0.4985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9785   -2.1132    0.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4813   -1.8562    0.3508 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