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
   -2.8095    0.3701   -0.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8858   -0.3411    0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4708   -0.1812    0.2119 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0279    0.7344   -0.6927 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3966    0.8652   -0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3071    0.0717   -0.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8251   -0.8485    0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4729   -0.9636    0.8636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0361    0.2333   -0.5767 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6395    1.1378   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8680    0.2143    0.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1735   -1.0851    1.2117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6639    1.3692   -1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7846    1.5832   -1.6459 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5570   -1.4613    1.1467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1037   -1.6984    1.5867 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