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
   -2.7972    0.4814   -0.2131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9179   -0.4744    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -0.2506    0.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4031   -1.3053    0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7682   -1.1188    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3251    0.1239    0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677    1.1732   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0820    0.9811   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778    0.3564    0.1170 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629    0.2823   -0.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5129    1.4987   -0.3866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2761   -1.5015    0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0451   -2.2872    0.4169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4211   -1.9704    0.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989    2.1568   -0.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5493    1.8543   -0.3642 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